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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Thiazoles (24)
Imidazoles (17)
Pyrazoles (15)
Triazoles (6)
Isoxazoles (2)
Oxadiazoles (2)
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1 – 15 of 34 results
1

bis-Benzimide H-33342 trihydrochloride trihydrate, 98%

EDGE
2

Metronidazole, 99%

CAS: 443-48-1 Molecular Formula: C6H9N3O3 Molecular Weight (g/mol): 171.156 MDL Number: MFCD00009750 InChI Key: VAOCPAMSLUNLGC-UHFFFAOYSA-N Synonym: metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol PubChem CID: 4173 ChEBI: CHEBI:6909 IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]

PubChem CID 4173
CAS 443-48-1
Molecular Weight (g/mol) 171.156
ChEBI CHEBI:6909
MDL Number MFCD00009750
SMILES CC1=NC=C(N1CCO)[N+](=O)[O-]
Synonym metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol
IUPAC Name 2-(2-methyl-5-nitroimidazol-1-yl)ethanol
InChI Key VAOCPAMSLUNLGC-UHFFFAOYSA-N
Molecular Formula C6H9N3O3
3

3-Bromo-7-nitroindazole, 98+%

CAS: 74209-34-0 Molecular Formula: C7H4BrN3O2 Molecular Weight (g/mol): 242.03 MDL Number: MFCD00159910 InChI Key: NFSTZPMYAZRZPC-UHFFFAOYSA-N Synonym: 3-bromo-7-nitroindazole,3-bromo-7-nitro-1h-indazole,1h-indazole,3-bromo-7-nitro,brni,3-bromo-7ni,3-br-7-nitroindazole,tocris-0735,lopac-b-2050,d0u6zt,d0x5qj PubChem CID: 1649 IUPAC Name: 3-bromo-7-nitro-2H-indazole SMILES: [O-][N+](=O)C1=CC=CC2=C(Br)NN=C12

PubChem CID 1649
CAS 74209-34-0
Molecular Weight (g/mol) 242.03
MDL Number MFCD00159910
SMILES [O-][N+](=O)C1=CC=CC2=C(Br)NN=C12
Synonym 3-bromo-7-nitroindazole,3-bromo-7-nitro-1h-indazole,1h-indazole,3-bromo-7-nitro,brni,3-bromo-7ni,3-br-7-nitroindazole,tocris-0735,lopac-b-2050,d0u6zt,d0x5qj
IUPAC Name 3-bromo-7-nitro-2H-indazole
InChI Key NFSTZPMYAZRZPC-UHFFFAOYSA-N
Molecular Formula C7H4BrN3O2
4

Ethyl 2-aminothiazole-5-carboxylate, 97%

CAS: 32955-21-8 Molecular Formula: C6H8N2O2S Molecular Weight (g/mol): 172.202 MDL Number: MFCD00602139 InChI Key: VNZXERIGKZNEKB-UHFFFAOYSA-N Synonym: ethyl 2-aminothiazole-5-carboxylate,ethyl 2-amino-thiazole-5-carboxylate,2-amino-thiazole-5-carboxylic acid ethyl ester,ethyl2-aminothiazole-5-carboxylate,2-amino-thiazole-5-carboxylate ethyl ester,2-aminothiazole-5-carboxylic acid ethyl ester,5-thiazolecarboxylic acid, 2-amino-, ethyl ester,2-amino-5-thiazolecarboxylic acid ethyl ester,ethyl-2-amino thiazole-5-carboxylate,zlchem 456 PubChem CID: 314628 IUPAC Name: ethyl 2-amino-1,3-thiazole-5-carboxylate SMILES: CCOC(=O)C1=CN=C(S1)N

PubChem CID 314628
CAS 32955-21-8
Molecular Weight (g/mol) 172.202
MDL Number MFCD00602139
SMILES CCOC(=O)C1=CN=C(S1)N
Synonym ethyl 2-aminothiazole-5-carboxylate,ethyl 2-amino-thiazole-5-carboxylate,2-amino-thiazole-5-carboxylic acid ethyl ester,ethyl2-aminothiazole-5-carboxylate,2-amino-thiazole-5-carboxylate ethyl ester,2-aminothiazole-5-carboxylic acid ethyl ester,5-thiazolecarboxylic acid, 2-amino-, ethyl ester,2-amino-5-thiazolecarboxylic acid ethyl ester,ethyl-2-amino thiazole-5-carboxylate,zlchem 456
IUPAC Name ethyl 2-amino-1,3-thiazole-5-carboxylate
InChI Key VNZXERIGKZNEKB-UHFFFAOYSA-N
Molecular Formula C6H8N2O2S
5

2,4,5-Trimethyloxazole, 97%

CAS: 20662-84-4 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.144 MDL Number: MFCD00005308 InChI Key: ZRLDBDZSLLGDOX-UHFFFAOYSA-N Synonym: 2,4,5-trimethyloxazole,trimethyloxazole,oxazole, trimethyl,unii-b04pf51wxi,2,4,5-trimethyl oxazole,trimethyl-1,3-oxazole,b04pf51wxi,oxazole, 2,4,5-trimethyl,trimethyl-oxazole,pubchem8636 PubChem CID: 30215 IUPAC Name: 2,4,5-trimethyl-1,3-oxazole SMILES: CC1=C(OC(=N1)C)C

PubChem CID 30215
CAS 20662-84-4
Molecular Weight (g/mol) 111.144
MDL Number MFCD00005308
SMILES CC1=C(OC(=N1)C)C
Synonym 2,4,5-trimethyloxazole,trimethyloxazole,oxazole, trimethyl,unii-b04pf51wxi,2,4,5-trimethyl oxazole,trimethyl-1,3-oxazole,b04pf51wxi,oxazole, 2,4,5-trimethyl,trimethyl-oxazole,pubchem8636
IUPAC Name 2,4,5-trimethyl-1,3-oxazole
InChI Key ZRLDBDZSLLGDOX-UHFFFAOYSA-N
Molecular Formula C6H9NO
6

1-(trans-Cinnamoyl)imidazole, 98%, Thermo Scientific Chemicals

CAS: 1138-15-4 Molecular Formula: C12H10N2O Molecular Weight (g/mol): 198.225 MDL Number: MFCD00005288 InChI Key: XVGXMXZUJNAGFZ-VOTSOKGWSA-N Synonym: n-trans-cinnamoylimidazole,trans-cinnamoylimidazole,imidazole, 1-cinnamoyl-, e,imidazole, 1-cinnamoyl-, trans,imidazole, trans,1-trans-cinnamoyl imidazole,imidazole, e,e-1-1h-imidazol-1-yl-3-phenylprop-2-en-1-one,1h-imidazole, e,2e-1-imidazolyl-3-phenylprop-2-en-1-one PubChem CID: 5357650 IUPAC Name: (E)-1-imidazol-1-yl-3-phenylprop-2-en-1-one SMILES: C1=CC=C(C=C1)C=CC(=O)N2C=CN=C2

PubChem CID 5357650
CAS 1138-15-4
Molecular Weight (g/mol) 198.225
MDL Number MFCD00005288
SMILES C1=CC=C(C=C1)C=CC(=O)N2C=CN=C2
Synonym n-trans-cinnamoylimidazole,trans-cinnamoylimidazole,imidazole, 1-cinnamoyl-, e,imidazole, 1-cinnamoyl-, trans,imidazole, trans,1-trans-cinnamoyl imidazole,imidazole, e,e-1-1h-imidazol-1-yl-3-phenylprop-2-en-1-one,1h-imidazole, e,2e-1-imidazolyl-3-phenylprop-2-en-1-one
IUPAC Name (E)-1-imidazol-1-yl-3-phenylprop-2-en-1-one
InChI Key XVGXMXZUJNAGFZ-VOTSOKGWSA-N
Molecular Formula C12H10N2O
7

1,1'-Thiocarbonyldiimidazole, tech 90%

CAS: 6160-65-2 Molecular Formula: C7H6N4S Molecular Weight (g/mol): 178.21 MDL Number: MFCD00005289 InChI Key: RAFNCPHFRHZCPS-UHFFFAOYSA-N Synonym: 1,1'-thiocarbonyldiimidazole,thiocarbonyldiimidazole,n,n'-thiocarbonyldiimidazole,di 1h-imidazol-1-yl methanethione,1,1-thiocarbonyldiimidazole,di imidazol-1-yl methanethione,n,n'-thiocarbonyldiimidazole tcdi,1h-imidazole, 1,1'-carbonothioylbis,n,n-thiocarbonyldiimidazole,1,1'-carbonothioylbis-1h-imidazole PubChem CID: 80264 IUPAC Name: di(imidazol-1-yl)methanethione SMILES: S=C(N1C=CN=C1)N1C=CN=C1

PubChem CID 80264
CAS 6160-65-2
Molecular Weight (g/mol) 178.21
MDL Number MFCD00005289
SMILES S=C(N1C=CN=C1)N1C=CN=C1
Synonym 1,1'-thiocarbonyldiimidazole,thiocarbonyldiimidazole,n,n'-thiocarbonyldiimidazole,di 1h-imidazol-1-yl methanethione,1,1-thiocarbonyldiimidazole,di imidazol-1-yl methanethione,n,n'-thiocarbonyldiimidazole tcdi,1h-imidazole, 1,1'-carbonothioylbis,n,n-thiocarbonyldiimidazole,1,1'-carbonothioylbis-1h-imidazole
IUPAC Name di(imidazol-1-yl)methanethione
InChI Key RAFNCPHFRHZCPS-UHFFFAOYSA-N
Molecular Formula C7H6N4S
8

1-Boc-imidazole, 98%

CAS: 49761-82-2 Molecular Formula: C8H12N2O2 Molecular Weight (g/mol): 168.196 MDL Number: MFCD00014497 InChI Key: MTBKGWHHOBJMHJ-UHFFFAOYSA-N Synonym: n-boc-imidazole,tert-butyl 1h-imidazole-1-carboxylate,n-tert-butoxycarbonylimidazole,1-tert-butoxycarbonyl imidazole,1h-imidazole-1-carboxylic acid, 1,1-dimethylethyl ester,imidazole-1-carboxylic acid tert-butyl ester,tert-butyl imidazolecarboxylate,1-boc-imidazole,acmc-209ki1,ksc237k5p PubChem CID: 521262 IUPAC Name: tert-butyl imidazole-1-carboxylate SMILES: CC(C)(C)OC(=O)N1C=CN=C1

PubChem CID 521262
CAS 49761-82-2
Molecular Weight (g/mol) 168.196
MDL Number MFCD00014497
SMILES CC(C)(C)OC(=O)N1C=CN=C1
Synonym n-boc-imidazole,tert-butyl 1h-imidazole-1-carboxylate,n-tert-butoxycarbonylimidazole,1-tert-butoxycarbonyl imidazole,1h-imidazole-1-carboxylic acid, 1,1-dimethylethyl ester,imidazole-1-carboxylic acid tert-butyl ester,tert-butyl imidazolecarboxylate,1-boc-imidazole,acmc-209ki1,ksc237k5p
IUPAC Name tert-butyl imidazole-1-carboxylate
InChI Key MTBKGWHHOBJMHJ-UHFFFAOYSA-N
Molecular Formula C8H12N2O2
9

1H-[1,2,4]Oxadiazolo[4,3-a]-quinoxalin-1-one, 98+%

CAS: 41443-28-1 Molecular Formula: C9H5N3O2 Molecular Weight (g/mol): 187.158 MDL Number: MFCD00792620 InChI Key: LZMHWZHOZLVYDL-UHFFFAOYSA-N Synonym: 1h-1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,odq,1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,unii-s57v2nmv38,1h-1,2,4 oxadiazolo 4,3-a-quinoxalin-1-one,1h-1,2,4 oxadiazolo-4,3,a quinoxalin-1-one,1-h-1,2,4 oxadiazolo-4,3,2 quinoxalin-1-ine,1h-odq PubChem CID: 1456 IUPAC Name: [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one SMILES: C1=CC=C2C(=C1)N=CC3=NOC(=O)N23

PubChem CID 1456
CAS 41443-28-1
Molecular Weight (g/mol) 187.158
MDL Number MFCD00792620
SMILES C1=CC=C2C(=C1)N=CC3=NOC(=O)N23
Synonym 1h-1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,odq,1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,unii-s57v2nmv38,1h-1,2,4 oxadiazolo 4,3-a-quinoxalin-1-one,1h-1,2,4 oxadiazolo-4,3,a quinoxalin-1-one,1-h-1,2,4 oxadiazolo-4,3,2 quinoxalin-1-ine,1h-odq
IUPAC Name [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one
InChI Key LZMHWZHOZLVYDL-UHFFFAOYSA-N
Molecular Formula C9H5N3O2
10

6-Amino-3-chloro-1H-indazole, 97%

CAS: 21413-23-0 Molecular Formula: C7H6ClN3 Molecular Weight (g/mol): 167.60 MDL Number: MFCD07781648 InChI Key: DRRARKIFTNKQDW-UHFFFAOYSA-N Synonym: 3-chloro-1h-indazol-6-amine,6-amino-3-chloro-1h-indazole,1h-indazol-6-amine,3-chloro,6-amino-3-chloroindazole,3-chloro-1h-indazole-6-ylamine,3-chloro-1h-indazol-6-ylamine,6-amino-3-chloro 1h indazole,pubchem23042,3-chloro-indazol-6-amine PubChem CID: 14790453 IUPAC Name: 3-chloro-2H-indazol-6-amine SMILES: NC1=CC2=NNC(Cl)=C2C=C1

PubChem CID 14790453
CAS 21413-23-0
Molecular Weight (g/mol) 167.60
MDL Number MFCD07781648
SMILES NC1=CC2=NNC(Cl)=C2C=C1
Synonym 3-chloro-1h-indazol-6-amine,6-amino-3-chloro-1h-indazole,1h-indazol-6-amine,3-chloro,6-amino-3-chloroindazole,3-chloro-1h-indazole-6-ylamine,3-chloro-1h-indazol-6-ylamine,6-amino-3-chloro 1h indazole,pubchem23042,3-chloro-indazol-6-amine
IUPAC Name 3-chloro-2H-indazol-6-amine
InChI Key DRRARKIFTNKQDW-UHFFFAOYSA-N
Molecular Formula C7H6ClN3
11

Ethyl imidazole-4-carboxylate, 98%

CAS: 23785-21-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD02646639,MFCD07363812 InChI Key: KLWYPRNPRNPORS-UHFFFAOYSA-N Synonym: ethyl 1h-imidazole-4-carboxylate,ethyl imidazole-4-carboxylate,ethyl 4-imidazolecarboxylate,ethyl 4 5-imidazolecarboxylate,4-carbethoxyimidazole,1h-imidazole-4-carboxylic acid ethyl ester,nic7lr0zon,unii-nic7lr0zon,imidazole-4-carboxylic acid ethyl ester,1h-imidazole-4-carboxylic acid, ethyl ester PubChem CID: 99170 IUPAC Name: ethyl 1H-imidazole-5-carboxylate SMILES: CCOC(=O)C1=CN=CN1

PubChem CID 99170
CAS 23785-21-9
Molecular Weight (g/mol) 140.14
MDL Number MFCD02646639,MFCD07363812
SMILES CCOC(=O)C1=CN=CN1
Synonym ethyl 1h-imidazole-4-carboxylate,ethyl imidazole-4-carboxylate,ethyl 4-imidazolecarboxylate,ethyl 4 5-imidazolecarboxylate,4-carbethoxyimidazole,1h-imidazole-4-carboxylic acid ethyl ester,nic7lr0zon,unii-nic7lr0zon,imidazole-4-carboxylic acid ethyl ester,1h-imidazole-4-carboxylic acid, ethyl ester
IUPAC Name ethyl 1H-imidazole-5-carboxylate
InChI Key KLWYPRNPRNPORS-UHFFFAOYSA-N
Molecular Formula C6H8N2O2
12

4-Chloromethyl-2-methylthiazole hydrochloride, 98%

CAS: 77470-53-2 Molecular Formula: C5H7Cl2NS Molecular Weight (g/mol): 184.08 MDL Number: MFCD00067725 InChI Key: YGKDISJLDVGNOR-UHFFFAOYSA-N Synonym: 4-chloromethyl-2-methylthiazole hydrochloride,4-chloromethyl-2-methyl-1,3-thiazole hydrochloride,4-chloromethyl-2-methylthiazole hcl,4-chloromethyl-2-methyl thiazole hydrochloride,2-methyl-4-chloromethyl thiazole hydrochloride,4-chloromethyl-2-methyl-1,3-thiazole, chloride,2-methyl-4-chloromethylthiazole hydrochloride,4-chloromethyl-2-methyl-1,3-thiazole hcl PubChem CID: 2734203 SMILES: Cl.CC1=NC(CCl)=CS1

PubChem CID 2734203
CAS 77470-53-2
Molecular Weight (g/mol) 184.08
MDL Number MFCD00067725
SMILES Cl.CC1=NC(CCl)=CS1
Synonym 4-chloromethyl-2-methylthiazole hydrochloride,4-chloromethyl-2-methyl-1,3-thiazole hydrochloride,4-chloromethyl-2-methylthiazole hcl,4-chloromethyl-2-methyl thiazole hydrochloride,2-methyl-4-chloromethyl thiazole hydrochloride,4-chloromethyl-2-methyl-1,3-thiazole, chloride,2-methyl-4-chloromethylthiazole hydrochloride,4-chloromethyl-2-methyl-1,3-thiazole hcl
InChI Key YGKDISJLDVGNOR-UHFFFAOYSA-N
Molecular Formula C5H7Cl2NS
13

4-Bromo-1H-indazole, 97+%

CAS: 186407-74-9 Molecular Formula: C7H5BrN2 Molecular Weight (g/mol): 197.035 MDL Number: MFCD05664001 InChI Key: KJIODOACRIRBPB-UHFFFAOYSA-N Synonym: 4-bromoindazole,1h-indazole, 4-bromo,4-bromo 1h indazole,4-bromo-indazole,bromo-1h-indazole,pubchem7834,4-bromo-2h-indazole,acmc-1bzds,4-bromanyl-1h-indazole PubChem CID: 22352548 IUPAC Name: 4-bromo-1H-indazole SMILES: C1=CC2=C(C=NN2)C(=C1)Br

PubChem CID 22352548
CAS 186407-74-9
Molecular Weight (g/mol) 197.035
MDL Number MFCD05664001
SMILES C1=CC2=C(C=NN2)C(=C1)Br
Synonym 4-bromoindazole,1h-indazole, 4-bromo,4-bromo 1h indazole,4-bromo-indazole,bromo-1h-indazole,pubchem7834,4-bromo-2h-indazole,acmc-1bzds,4-bromanyl-1h-indazole
IUPAC Name 4-bromo-1H-indazole
InChI Key KJIODOACRIRBPB-UHFFFAOYSA-N
Molecular Formula C7H5BrN2
14

3,5-Dimethylisoxazole-4-boronic acid, 97%

CAS: 16114-47-9 Molecular Formula: C5H8BNO3 Molecular Weight (g/mol): 140.933 MDL Number: MFCD02677945 InChI Key: DIIFZCPZIRQDIJ-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole-4-boronic acid,3,5-dimethylisoxazol-4-yl boronic acid,3,5-dimethyl-4-isoxazolylboronic acid,3,5-dimethylisoxazol-4-ylboronic acid,3,5-dimethyl-1,2-oxazol-4-yl boronic acid,3,5-dimethylisoxazole-4-boronicacid,3,5-dimethyl-4-isoxazoleboronic acid,3,5-dimethylisoxazol-4-yl-4-boronic acid,3,5-dimethyl-isoxazole-4-boronic acid,dimethyl-1,2-oxazol-4-yl boronic acid PubChem CID: 2734346 IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid SMILES: B(C1=C(ON=C1C)C)(O)O

PubChem CID 2734346
CAS 16114-47-9
Molecular Weight (g/mol) 140.933
MDL Number MFCD02677945
SMILES B(C1=C(ON=C1C)C)(O)O
Synonym 3,5-dimethylisoxazole-4-boronic acid,3,5-dimethylisoxazol-4-yl boronic acid,3,5-dimethyl-4-isoxazolylboronic acid,3,5-dimethylisoxazol-4-ylboronic acid,3,5-dimethyl-1,2-oxazol-4-yl boronic acid,3,5-dimethylisoxazole-4-boronicacid,3,5-dimethyl-4-isoxazoleboronic acid,3,5-dimethylisoxazol-4-yl-4-boronic acid,3,5-dimethyl-isoxazole-4-boronic acid,dimethyl-1,2-oxazol-4-yl boronic acid
IUPAC Name (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid
InChI Key DIIFZCPZIRQDIJ-UHFFFAOYSA-N
Molecular Formula C5H8BNO3
15

4-Methyl-5-vinylthiazole, 98+%

CAS: 1759-28-0 Molecular Formula: C6H7NS Molecular Weight (g/mol): 125.19 MDL Number: MFCD00005337 InChI Key: QUAMMXIRDIIGDJ-UHFFFAOYSA-N Synonym: 4-methyl-5-vinylthiazole,thiazole, 5-ethenyl-4-methyl,4-methyl-5-vinyl thiazole,5-ethenyl-4-methylthiazole,thiazole, 4-methyl-5-vinyl,vinylsulfurol,vinyl sulfurol,fema no. 3313,5-vinyl-4-methylthiazole,4-methyl-5-vinyl-thiazole PubChem CID: 15654 IUPAC Name: 5-ethenyl-4-methyl-1,3-thiazole SMILES: CC1=C(SC=N1)C=C

PubChem CID 15654
CAS 1759-28-0
Molecular Weight (g/mol) 125.19
MDL Number MFCD00005337
SMILES CC1=C(SC=N1)C=C
Synonym 4-methyl-5-vinylthiazole,thiazole, 5-ethenyl-4-methyl,4-methyl-5-vinyl thiazole,5-ethenyl-4-methylthiazole,thiazole, 4-methyl-5-vinyl,vinylsulfurol,vinyl sulfurol,fema no. 3313,5-vinyl-4-methylthiazole,4-methyl-5-vinyl-thiazole
IUPAC Name 5-ethenyl-4-methyl-1,3-thiazole
InChI Key QUAMMXIRDIIGDJ-UHFFFAOYSA-N
Molecular Formula C6H7NS