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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.
Imidazoles (891)
Triazoles (5)
Pyrazoles (3)
Oxadiazoles (2)

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1 – 15 of 271 results
1

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
2

4-Amino-3-hydrazino-5-mercapto-1,2,4-triazole, 99+%, Thermo Scientific Chemicals

CAS: 1750-12-5 Molecular Formula: C2H6N6S Molecular Weight (g/mol): 146.172 MDL Number: MFCD00003098 InChI Key: RDIMQHBOTMWMJA-UHFFFAOYSA-N Synonym: 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole,purpald,4-amino-3-hydrazino-1,2,4-triazol-5-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, hydrazone,purpald r,4-amino-5-hydrazino-1,2,4-triazole-3-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, 3-hydrazone,4-amino-5-hydrazinyl-4h-1,2,4-triazole-3-thiol,3h-1,2,4-triazole-3-thione, 4-amino-5-hydrazinyl-2,4-dihydro,4-amino-5-hydrazinyl-1,2,4-triazole-3-thiol PubChem CID: 2723946 IUPAC Name: 4-amino-3-hydrazinyl-1H-1,2,4-triazole-5-thione SMILES: C1(=S)NN=C(N1N)NN

PubChem CID 2723946
CAS 1750-12-5
Molecular Weight (g/mol) 146.172
MDL Number MFCD00003098
SMILES C1(=S)NN=C(N1N)NN
Synonym 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole,purpald,4-amino-3-hydrazino-1,2,4-triazol-5-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, hydrazone,purpald r,4-amino-5-hydrazino-1,2,4-triazole-3-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, 3-hydrazone,4-amino-5-hydrazinyl-4h-1,2,4-triazole-3-thiol,3h-1,2,4-triazole-3-thione, 4-amino-5-hydrazinyl-2,4-dihydro,4-amino-5-hydrazinyl-1,2,4-triazole-3-thiol
IUPAC Name 4-amino-3-hydrazinyl-1H-1,2,4-triazole-5-thione
InChI Key RDIMQHBOTMWMJA-UHFFFAOYSA-N
Molecular Formula C2H6N6S
3

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
4

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
5

Acycloguanosine, 98%

CAS: 59277-89-3 Molecular Formula: C8H11N5O3 Molecular Weight (g/mol): 225.21 MDL Number: MFCD00057880 InChI Key: MKUXAQIIEYXACX-UHFFFAOYSA-N Synonym: acyclovir,aciclovir,acycloguanosine,zovirax,vipral,virorax,wellcome-248u,9-2-hydroxyethoxy methyl guanine,zovir,aciclovirum PubChem CID: 2022 ChEBI: CHEBI:2453 IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one SMILES: NC1=NC2=C(N=CN2COCCO)C(=O)N1

PubChem CID 2022
CAS 59277-89-3
Molecular Weight (g/mol) 225.21
ChEBI CHEBI:2453
MDL Number MFCD00057880
SMILES NC1=NC2=C(N=CN2COCCO)C(=O)N1
Synonym acyclovir,aciclovir,acycloguanosine,zovirax,vipral,virorax,wellcome-248u,9-2-hydroxyethoxy methyl guanine,zovir,aciclovirum
IUPAC Name 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one
InChI Key MKUXAQIIEYXACX-UHFFFAOYSA-N
Molecular Formula C8H11N5O3
6

ODQ, 98%

CAS: 41443-28-1 Molecular Formula: C9H5N3O2 Molecular Weight (g/mol): 187.2 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) 187.2
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
7

1-Aminobenzotriazole, 97%

CAS: 1614-12-6 Molecular Formula: C6H6N4 Molecular Weight (g/mol): 134.142 MDL Number: MFCD00132902 InChI Key: JCXKHYLLVKZPKE-UHFFFAOYSA-N Synonym: 1-aminobenzotriazole,1h-benzotriazol-1-amine,1h-benzo d 1,2,3 triazol-1-amine,1-benzotriazolamine,1-abtz,1h-1,2,3-benzotriazol-1-amine,1h-1,2,3-benzotriazol-1-ylamine,1,2,3-benzotriazol-1-amine,benzotriazolylamine,1-benzotriazolylamine PubChem CID: 1367 IUPAC Name: benzotriazol-1-amine SMILES: C1=CC=C2C(=C1)N=NN2N

PubChem CID 1367
CAS 1614-12-6
Molecular Weight (g/mol) 134.142
MDL Number MFCD00132902
SMILES C1=CC=C2C(=C1)N=NN2N
Synonym 1-aminobenzotriazole,1h-benzotriazol-1-amine,1h-benzo d 1,2,3 triazol-1-amine,1-benzotriazolamine,1-abtz,1h-1,2,3-benzotriazol-1-amine,1h-1,2,3-benzotriazol-1-ylamine,1,2,3-benzotriazol-1-amine,benzotriazolylamine,1-benzotriazolylamine
IUPAC Name benzotriazol-1-amine
InChI Key JCXKHYLLVKZPKE-UHFFFAOYSA-N
Molecular Formula C6H6N4
8

Imidazole-4-carboxaldehyde, 97%

CAS: 3034-50-2 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.089 MDL Number: MFCD00173726 InChI Key: ZQEXIXXJFSQPNA-UHFFFAOYSA-N Synonym: 1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde PubChem CID: 76428 IUPAC Name: 1H-imidazole-5-carbaldehyde SMILES: C1=C(NC=N1)C=O

PubChem CID 76428
CAS 3034-50-2
Molecular Weight (g/mol) 96.089
MDL Number MFCD00173726
SMILES C1=C(NC=N1)C=O
Synonym 1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde
IUPAC Name 1H-imidazole-5-carbaldehyde
InChI Key ZQEXIXXJFSQPNA-UHFFFAOYSA-N
Molecular Formula C4H4N2O
9

5-Aminoimidazole-4-carboxamide 1-beta-D-ribofuranoside, 98%, Thermo Scientific Chemicals

CAS: 2627-69-2 Molecular Formula: C9H14N4O5 Molecular Weight (g/mol): 258.23 MDL Number: MFCD00869751 InChI Key: RTRQQBHATOEIAF-UUOKFMHZSA-N Synonym: acadesine,aica-riboside,aicar,arasine,aica riboside,aic-riboside,acadesina,acadesinum,5-amino-1-beta-d-ribofuranosyl-1h-imidazole-4-carboxamide,protara PubChem CID: 17513 ChEBI: CHEBI:28498 IUPAC Name: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide SMILES: NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

PubChem CID 17513
CAS 2627-69-2
Molecular Weight (g/mol) 258.23
ChEBI CHEBI:28498
MDL Number MFCD00869751
SMILES NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Synonym acadesine,aica-riboside,aicar,arasine,aica riboside,aic-riboside,acadesina,acadesinum,5-amino-1-beta-d-ribofuranosyl-1h-imidazole-4-carboxamide,protara
IUPAC Name 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
InChI Key RTRQQBHATOEIAF-UUOKFMHZSA-N
Molecular Formula C9H14N4O5
10

1-Benzylimidazole, 98+%

CAS: 4238-71-5 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00005296 InChI Key: KKKDZZRICRFGSD-UHFFFAOYSA-N Synonym: 1-benzyl-1h-imidazole,n-benzylimidazole,imidazole, 1-benzyl,benzylimidazole,1h-imidazole, 1-phenylmethyl,1-benzyl imidazole,ccris 5821,chembl14192,1bn,1-benzylimdazole PubChem CID: 77918 IUPAC Name: 1-benzylimidazole SMILES: C(N1C=CN=C1)C1=CC=CC=C1

PubChem CID 77918
CAS 4238-71-5
Molecular Weight (g/mol) 158.20
MDL Number MFCD00005296
SMILES C(N1C=CN=C1)C1=CC=CC=C1
Synonym 1-benzyl-1h-imidazole,n-benzylimidazole,imidazole, 1-benzyl,benzylimidazole,1h-imidazole, 1-phenylmethyl,1-benzyl imidazole,ccris 5821,chembl14192,1bn,1-benzylimdazole
IUPAC Name 1-benzylimidazole
InChI Key KKKDZZRICRFGSD-UHFFFAOYSA-N
Molecular Formula C10H10N2
11

5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside, 98%

CAS: 2627-69-2 Molecular Formula: C9H14N4O5 Molecular Weight (g/mol): 258.23 MDL Number: MFCD00869751 InChI Key: RTRQQBHATOEIAF-UUOKFMHZSA-N Synonym: acadesine,aica-riboside,aicar,arasine,aica riboside,aic-riboside,acadesina,acadesinum,5-amino-1-beta-d-ribofuranosyl-1h-imidazole-4-carboxamide,protara PubChem CID: 17513 ChEBI: CHEBI:28498 IUPAC Name: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide SMILES: NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

PubChem CID 17513
CAS 2627-69-2
Molecular Weight (g/mol) 258.23
ChEBI CHEBI:28498
MDL Number MFCD00869751
SMILES NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Synonym acadesine,aica-riboside,aicar,arasine,aica riboside,aic-riboside,acadesina,acadesinum,5-amino-1-beta-d-ribofuranosyl-1h-imidazole-4-carboxamide,protara
IUPAC Name 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
InChI Key RTRQQBHATOEIAF-UUOKFMHZSA-N
Molecular Formula C9H14N4O5
12

Pracinostat, MedChemExpress

MedChemExpress Pracinostat is a potent histone deacetylase (HDAC) inhibitor, with IC50s of 40-140 nM, used for cancer research.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 358.48
Color White
Physical Form Solid
Chemical Name or Material Pracinostat
Grade Research
SMILES ONC(/C=C/C1=CC=C2N(C(CCCC)=NC2=C1)CCN(CC)CC)=O
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.83%
CAS 929016-96-6
Solubility Information DMSO : 250 mg/mL (697.39 mM; Need ultrasonic)
Synonym SB939
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C20H30N4O2
Formula Weight 358.48
13

AKT Kinase Inhibitor, MedChemExpress

MedChemExpress AKT Kinase Inhibitor is an Akt kinase inhibitor with anti-tumor activity.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 357.37
Color Light Green
Physical Form Solid
Chemical Name or Material AKT Kinase Inhibitor
Grade Research
SMILES OCC#CC1=NC=C(C2=C1N=C(N2CC)C3=NON=C3N)OCCCN
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.04%
CAS 842148-40-7
Solubility Information DMSO : 16.67 mg/mL (46.65 mM; Need ultrasonic)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C16H19N7O3
Formula Weight 357.37
14

Quizartinib, MedChemExpress

MedChemExpress Quizartinib (AC220) is an orally active, highly selective and potent second-generation type II FLT3 tyrosine kinase inhibitor, with a Kd of 1.6 nM. Quizartinib inhibits wild-type FLT3 and FLT3-ITD autophosphorylation in MV4-11 cells with IC50s of 4.2 and 1.1 nM, respectively. Quizartinib can be linked to the VHL ligand via an optimized linker to form a PROTAC FLT3 degrader. Quizartinib induces apoptosis.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 560.67
Color Off-White
Physical Form Solid
Chemical Name or Material Quizartinib
Grade Research
SMILES O=C(NC1=NOC(C(C)(C)C)=C1)NC2=CC=C(C=C2)C3=CN4C(SC5=CC(OCCN6CCOCC6)=CC=C45)=N3
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.87%
CAS 950769-58-1
Solubility Information DMSO : ≥ 33 mg/mL (58.86 mM)
Synonym AC220
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C29H32N6O4S
Formula Weight 560.67
15

EF-5, MedChemExpress

MedChemExpress EF-5 (EF5; 2-Nitroimidazole) is a hypoxia labeling agent used to identify hypoxia in cells.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 302.16
Color White
Physical Form Solid
Chemical Name or Material EF-5
Grade Research
SMILES O=C(NCC(F)(F)C(F)(F)F)CN1C=CN=C1[N+]([O-])=O
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.0%
CAS 152721-37-4
Solubility Information DMSO : 125 mg/mL (413.69 mM; Need ultrasonic)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C8H7F5N4O3
Formula Weight 302.16