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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.
Triazoles (8)
Isoxazoles (6)
Pyrazoles (3)
Thiazoles (3)
Imidazoles (1)

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1 – 12 of 12 results
1

5-Methyl-3-phenylisoxazole-4-carboxylic acid, 99%

CAS: 1136-45-4 Molecular Formula: C11H9NO3 Molecular Weight (g/mol): 203.197 MDL Number: MFCD00003153 InChI Key: PENHKTNQUJMHIR-UHFFFAOYSA-N Synonym: 5-methyl-3-phenylisoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarboxylic acid,3-phenyl-5-methylisoxazol-4-carbonsaeure,3-phenyl-5-methylisoxazole-4-carboxylic acid,isoxazole-4-carboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-isoxazole-4-carboxylic acid,5-methyl-3-phenylisoxazole-4-carboxylicacid,3-phenyl-5-methylisoxazol-4-carbonsaeure german,5-methyl-3-phenyl-4-isooxazolic acid PubChem CID: 14343 IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)O

PubChem CID 14343
CAS 1136-45-4
Molecular Weight (g/mol) 203.197
MDL Number MFCD00003153
SMILES CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)O
Synonym 5-methyl-3-phenylisoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarboxylic acid,3-phenyl-5-methylisoxazol-4-carbonsaeure,3-phenyl-5-methylisoxazole-4-carboxylic acid,isoxazole-4-carboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-isoxazole-4-carboxylic acid,5-methyl-3-phenylisoxazole-4-carboxylicacid,3-phenyl-5-methylisoxazol-4-carbonsaeure german,5-methyl-3-phenyl-4-isooxazolic acid
IUPAC Name 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
InChI Key PENHKTNQUJMHIR-UHFFFAOYSA-N
Molecular Formula C11H9NO3
2

2,4-Dimethylthiazole, 99%

CAS: 541-58-2 Molecular Formula: C5H7NS Molecular Weight (g/mol): 113.18 MDL Number: MFCD00014509 InChI Key: OBSLLHNATPQFMJ-UHFFFAOYSA-N Synonym: 2,4-dimethylthiazole,thiazole, 2,4-dimethyl,2,4-methylthiazole,2,4-dimethyl thiazole,unii-lht97038oa,2,4-dimethyl-thiazole,dimethylthiazol,zlchem 533,2,4 dimethylthiazole,2.4-dimethylthiazole PubChem CID: 10934 IUPAC Name: 2,4-dimethyl-1,3-thiazole SMILES: CC1=NC(C)=CS1

PubChem CID 10934
CAS 541-58-2
Molecular Weight (g/mol) 113.18
MDL Number MFCD00014509
SMILES CC1=NC(C)=CS1
Synonym 2,4-dimethylthiazole,thiazole, 2,4-dimethyl,2,4-methylthiazole,2,4-dimethyl thiazole,unii-lht97038oa,2,4-dimethyl-thiazole,dimethylthiazol,zlchem 533,2,4 dimethylthiazole,2.4-dimethylthiazole
IUPAC Name 2,4-dimethyl-1,3-thiazole
InChI Key OBSLLHNATPQFMJ-UHFFFAOYSA-N
Molecular Formula C5H7NS
3

1-Methylpyrazole, 98%

CAS: 930-36-9 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.1 MDL Number: MFCD00144943 InChI Key: UQFQONCQIQEYPJ-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazole,n-methylpyrazole,1h-pyrazole, 1-methyl,pyrazole, 1-methyl,methylpyrazole,1-methyl pyrazole,1-methypyrazole,n-methyl pyrazole,1-methyl-pyrazole,zlchem 255 PubChem CID: 70255 ChEBI: CHEBI:59025 IUPAC Name: 1-methylpyrazole SMILES: CN1C=CC=N1

PubChem CID 70255
CAS 930-36-9
Molecular Weight (g/mol) 82.1
ChEBI CHEBI:59025
MDL Number MFCD00144943
SMILES CN1C=CC=N1
Synonym 1-methyl-1h-pyrazole,n-methylpyrazole,1h-pyrazole, 1-methyl,pyrazole, 1-methyl,methylpyrazole,1-methyl pyrazole,1-methypyrazole,n-methyl pyrazole,1-methyl-pyrazole,zlchem 255
IUPAC Name 1-methylpyrazole
InChI Key UQFQONCQIQEYPJ-UHFFFAOYSA-N
Molecular Formula C4H6N2
5

Benzotriazol-1-yloxytris(dimethylamino)-phosphonium hexafluorophosphate, 98+%

CAS: 56602-33-6 Molecular Formula: C12H22N6OP·PF6 Molecular Weight (g/mol): 442.27 InChI Key: MGEVGECQZUIPSV-UHFFFAOYSA-N Synonym: bop reagent,1h-benzo d 1,2,3 triazol-1-yl oxy tris dimethylamino phosphonium hexafluorophosphate v,castro's reagent,bop-reagent,benzotriazol-1-yloxytris dimethylamino-phosphonium hexafluorophosphate,ccris 2602,castros reagent,tri dimethylamino benzotriazol-1-yloxyphosphonium hexafluorophosphate,benzotriazol-1-yloxy tris dimethylamino phosphonium hexafluorophosphate,1h-benzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate PubChem CID: 151348 IUPAC Name: benzotriazol-1-yloxy-tris(dimethylamino)phosphanium;hexafluorophosphate SMILES: CN(C)[P+](N(C)C)(N(C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F

PubChem CID 151348
CAS 56602-33-6
Molecular Weight (g/mol) 442.27
SMILES CN(C)[P+](N(C)C)(N(C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F
Synonym bop reagent,1h-benzo d 1,2,3 triazol-1-yl oxy tris dimethylamino phosphonium hexafluorophosphate v,castro's reagent,bop-reagent,benzotriazol-1-yloxytris dimethylamino-phosphonium hexafluorophosphate,ccris 2602,castros reagent,tri dimethylamino benzotriazol-1-yloxyphosphonium hexafluorophosphate,benzotriazol-1-yloxy tris dimethylamino phosphonium hexafluorophosphate,1h-benzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate
IUPAC Name benzotriazol-1-yloxy-tris(dimethylamino)phosphanium;hexafluorophosphate
InChI Key MGEVGECQZUIPSV-UHFFFAOYSA-N
Molecular Formula C12H22N6OP·PF6
6

2-Methyl-2-phenylpropylmagnesium chloride, 0.5M solution in diethyl ether, AcroSeal™

CAS: 35293-35-7 Molecular Formula: C10H13ClMg Molecular Weight (g/mol): 192.97 MDL Number: MFCD00075586 InChI Key: BXKYFONHSSFLKR-UHFFFAOYSA-M Synonym: neophylmagnesium chloride,chloro 2-methyl-2-phenylpropyl magnesium,magnesium, chloro 2-methyl-2-phenylpropyl,2-methyl-2-phenylpropylmagnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution,neophyl magnesium chloride,bxkyfonhssflkr-uhfffaoysa-m,2-methyl-2-phenylpropyl magnesium chloride,2-methyl-2-phenyl-propanyl magnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution, 0.5 m in diethyl ether PubChem CID: 118802 IUPAC Name: magnesium;2-methanidylpropan-2-ylbenzene;chloride SMILES: CC(C)(C[Mg]Cl)C1=CC=CC=C1

PubChem CID 118802
CAS 35293-35-7
Molecular Weight (g/mol) 192.97
MDL Number MFCD00075586
SMILES CC(C)(C[Mg]Cl)C1=CC=CC=C1
Synonym neophylmagnesium chloride,chloro 2-methyl-2-phenylpropyl magnesium,magnesium, chloro 2-methyl-2-phenylpropyl,2-methyl-2-phenylpropylmagnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution,neophyl magnesium chloride,bxkyfonhssflkr-uhfffaoysa-m,2-methyl-2-phenylpropyl magnesium chloride,2-methyl-2-phenyl-propanyl magnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution, 0.5 m in diethyl ether
IUPAC Name magnesium;2-methanidylpropan-2-ylbenzene;chloride
InChI Key BXKYFONHSSFLKR-UHFFFAOYSA-M
Molecular Formula C10H13ClMg
7

1H-Benzotriazol-1-yloxytris(dimethylamino)phosphonium hexafluorophosphate, 98%

CAS: 56602-33-6 Molecular Formula: C12H22F6N6OP2 Molecular Weight (g/mol): 442.287 MDL Number: MFCD00011948 InChI Key: MGEVGECQZUIPSV-UHFFFAOYSA-N Synonym: bop reagent,1h-benzo d 1,2,3 triazol-1-yl oxy tris dimethylamino phosphonium hexafluorophosphate v,castro's reagent,bop-reagent,benzotriazol-1-yloxytris dimethylamino-phosphonium hexafluorophosphate,ccris 2602,castros reagent,tri dimethylamino benzotriazol-1-yloxyphosphonium hexafluorophosphate,benzotriazol-1-yloxy tris dimethylamino phosphonium hexafluorophosphate,1h-benzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate PubChem CID: 151348 IUPAC Name: benzotriazol-1-yloxy-tris(dimethylamino)phosphanium;hexafluorophosphate SMILES: CN(C)[P+](N(C)C)(N(C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F

PubChem CID 151348
CAS 56602-33-6
Molecular Weight (g/mol) 442.287
MDL Number MFCD00011948
SMILES CN(C)[P+](N(C)C)(N(C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F
Synonym bop reagent,1h-benzo d 1,2,3 triazol-1-yl oxy tris dimethylamino phosphonium hexafluorophosphate v,castro's reagent,bop-reagent,benzotriazol-1-yloxytris dimethylamino-phosphonium hexafluorophosphate,ccris 2602,castros reagent,tri dimethylamino benzotriazol-1-yloxyphosphonium hexafluorophosphate,benzotriazol-1-yloxy tris dimethylamino phosphonium hexafluorophosphate,1h-benzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate
IUPAC Name benzotriazol-1-yloxy-tris(dimethylamino)phosphanium;hexafluorophosphate
InChI Key MGEVGECQZUIPSV-UHFFFAOYSA-N
Molecular Formula C12H22F6N6OP2
8

4-(1H-1,2,4-triazol-1-ylmethyl)benzoic acid, ≥97%, Thermo Scientific™

CAS: 160388-54-5 Molecular Formula: C10H9N3O2 Molecular Weight (g/mol): 203.201 MDL Number: MFCD07187900 InChI Key: DJXUEFGFCMIONN-UHFFFAOYSA-N PubChem CID: 3159714 IUPAC Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid SMILES: C1=CC(=CC=C1CN2C=NC=N2)C(=O)O

PubChem CID 3159714
CAS 160388-54-5
Molecular Weight (g/mol) 203.201
MDL Number MFCD07187900
SMILES C1=CC(=CC=C1CN2C=NC=N2)C(=O)O
IUPAC Name 4-(1,2,4-triazol-1-ylmethyl)benzoic acid
InChI Key DJXUEFGFCMIONN-UHFFFAOYSA-N
Molecular Formula C10H9N3O2
9

Isoxazole, 99%

CAS: 288-14-2 Molecular Formula: C3H3NO Molecular Weight (g/mol): 69.06 MDL Number: MFCD00003149 InChI Key: CTAPFRYPJLPFDF-UHFFFAOYSA-N Synonym: isoxazole,1-oxa-2-azacyclopentadiene,isooxazole,unii-00srw0m6pw,00srw0m6pw,isoxazoles,pubchem8623,acmc-209h4x,ksc204o6n PubChem CID: 9254 ChEBI: CHEBI:35595 IUPAC Name: 1,2-oxazole SMILES: C1=CON=C1

PubChem CID 9254
CAS 288-14-2
Molecular Weight (g/mol) 69.06
ChEBI CHEBI:35595
MDL Number MFCD00003149
SMILES C1=CON=C1
Synonym isoxazole,1-oxa-2-azacyclopentadiene,isooxazole,unii-00srw0m6pw,00srw0m6pw,isoxazoles,pubchem8623,acmc-209h4x,ksc204o6n
IUPAC Name 1,2-oxazole
InChI Key CTAPFRYPJLPFDF-UHFFFAOYSA-N
Molecular Formula C3H3NO
10

Alfa Aesar™ 2-Methyl-5-nitroimidazole, 99%

CAS: 88054-22-2 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.10 MDL Number: MFCD00005191 InChI Key: FFYTTYVSDVWNMY-UHFFFAOYSA-N Synonym: 2-methyl-5-nitroimidazole,2-methyl-4-nitroimidazole,2-methyl-4-nitro-1h-imidazole,menidazole,1h-imidazole, 2-methyl-4-nitro,1h-imidazole, 2-methyl-5-nitro,2-methyl-4 5-nitroimidazole,imidazole, 2-methyl-4-nitro,unii-24ag2ww15w,imidazole, 2-methyl-5-nitro PubChem CID: 12760 IUPAC Name: 2-methyl-5-nitro-1H-imidazole SMILES: CC1=NC=C(N1)[N+]([O-])=O

PubChem CID 12760
CAS 88054-22-2
Molecular Weight (g/mol) 127.10
MDL Number MFCD00005191
SMILES CC1=NC=C(N1)[N+]([O-])=O
Synonym 2-methyl-5-nitroimidazole,2-methyl-4-nitroimidazole,2-methyl-4-nitro-1h-imidazole,menidazole,1h-imidazole, 2-methyl-4-nitro,1h-imidazole, 2-methyl-5-nitro,2-methyl-4 5-nitroimidazole,imidazole, 2-methyl-4-nitro,unii-24ag2ww15w,imidazole, 2-methyl-5-nitro
IUPAC Name 2-methyl-5-nitro-1H-imidazole
InChI Key FFYTTYVSDVWNMY-UHFFFAOYSA-N
Molecular Formula C4H5N3O2
11

4-Amino-1H-pyrazolo[3,4-d]pyrimidine, 98%, Thermo Scientific™

CAS: 2380-63-4 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00005688 InChI Key: LHCPRYRLDOSKHK-UHFFFAOYSA-N Synonym: 1h-pyrazolo 3,4-d pyrimidin-4-amine,4-aminopyrazolo 3,4-d pyrimidine,4-amino-1h-pyrazolo 3,4-d pyrimidine,pyrazoloadenine,1h-pyrazolo 3,4-d pyrimidin-4-ylamine,4-aminopyrazolopyrimidine,4 app,4-app,adenine antimetabolite PubChem CID: 75420 IUPAC Name: 1H-pyrazolo[3,4-d]pyrimidin-4-amine SMILES: NC1=C2C=NNC2=NC=N1

PubChem CID 75420
CAS 2380-63-4
Molecular Weight (g/mol) 135.13
MDL Number MFCD00005688
SMILES NC1=C2C=NNC2=NC=N1
Synonym 1h-pyrazolo 3,4-d pyrimidin-4-amine,4-aminopyrazolo 3,4-d pyrimidine,4-amino-1h-pyrazolo 3,4-d pyrimidine,pyrazoloadenine,1h-pyrazolo 3,4-d pyrimidin-4-ylamine,4-aminopyrazolopyrimidine,4 app,4-app,adenine antimetabolite
IUPAC Name 1H-pyrazolo[3,4-d]pyrimidin-4-amine
InChI Key LHCPRYRLDOSKHK-UHFFFAOYSA-N
Molecular Formula C5H5N5
12

2,4-Dimethylthiazole, 98%, Thermo Scientific™

CAS: 541-58-2 Molecular Formula: C5H7NS Molecular Weight (g/mol): 113.18 MDL Number: MFCD00014509 InChI Key: OBSLLHNATPQFMJ-UHFFFAOYSA-N Synonym: 2,4-dimethylthiazole,thiazole, 2,4-dimethyl,2,4-methylthiazole,2,4-dimethyl thiazole,unii-lht97038oa,2,4-dimethyl-thiazole,dimethylthiazol,zlchem 533,2,4 dimethylthiazole,2.4-dimethylthiazole PubChem CID: 10934 IUPAC Name: 2,4-dimethyl-1,3-thiazole SMILES: CC1=NC(C)=CS1

PubChem CID 10934
CAS 541-58-2
Molecular Weight (g/mol) 113.18
MDL Number MFCD00014509
SMILES CC1=NC(C)=CS1
Synonym 2,4-dimethylthiazole,thiazole, 2,4-dimethyl,2,4-methylthiazole,2,4-dimethyl thiazole,unii-lht97038oa,2,4-dimethyl-thiazole,dimethylthiazol,zlchem 533,2,4 dimethylthiazole,2.4-dimethylthiazole
IUPAC Name 2,4-dimethyl-1,3-thiazole
InChI Key OBSLLHNATPQFMJ-UHFFFAOYSA-N
Molecular Formula C5H7NS