Azoles
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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 |
Metronidazole, 99.32%, MP Biomedicals™
CAS: 443-48-1 Molecular Formula: C6H9N3O3 Molecular Weight (g/mol): 171.156 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 |
| 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 |
Sulfamethoxazole 98.0+%, TCI America™
CAS: 723-46-6 Molecular Formula: C10H11N3O3S Molecular Weight (g/mol): 253.276 MDL Number: MFCD00010546 InChI Key: JLKIGFTWXXRPMT-UHFFFAOYSA-N Synonym: sulfamethoxazole,sulphamethoxazole,sulfisomezole,gantanol,sulfamethoxazol,metoxal,sulfamethylisoxazole,simsinomin,radonil,sinomin PubChem CID: 5329 ChEBI: CHEBI:9332 IUPAC Name: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N
| PubChem CID | 5329 |
|---|---|
| CAS | 723-46-6 |
| Molecular Weight (g/mol) | 253.276 |
| ChEBI | CHEBI:9332 |
| MDL Number | MFCD00010546 |
| SMILES | CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N |
| Synonym | sulfamethoxazole,sulphamethoxazole,sulfisomezole,gantanol,sulfamethoxazol,metoxal,sulfamethylisoxazole,simsinomin,radonil,sinomin |
| IUPAC Name | 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide |
| InChI Key | JLKIGFTWXXRPMT-UHFFFAOYSA-N |
| Molecular Formula | C10H11N3O3S |
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 |
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 |
1-Methylimidazole 99.0+%, TCI America™
CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 IUPAC Name: 1-methyl-1H-imidazole SMILES: CN1C=CN=C1
| PubChem CID | 1390 |
|---|---|
| CAS | 616-47-7 |
| Molecular Weight (g/mol) | 82.11 |
| ChEBI | CHEBI:113454 |
| MDL Number | MFCD00005292 |
| SMILES | CN1C=CN=C1 |
| Synonym | 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole |
| IUPAC Name | 1-methyl-1H-imidazole |
| InChI Key | MCTWTZJPVLRJOU-UHFFFAOYSA-N |
| Molecular Formula | C4H6N2 |
4-Imidazoleacetic acid hydrochloride, 98%
CAS: 3251-69-2 Molecular Formula: C5H7ClN2O2 Molecular Weight (g/mol): 162.57 MDL Number: MFCD00012698 InChI Key: MWHLCFYPFGFBQO-UHFFFAOYSA-N Synonym: 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao PubChem CID: 145685 IUPAC Name: 2-(1H-imidazol-5-yl)acetic acid;hydrochloride SMILES: Cl.OC(=O)CC1=CN=CN1
| PubChem CID | 145685 |
|---|---|
| CAS | 3251-69-2 |
| Molecular Weight (g/mol) | 162.57 |
| MDL Number | MFCD00012698 |
| SMILES | Cl.OC(=O)CC1=CN=CN1 |
| Synonym | 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao |
| IUPAC Name | 2-(1H-imidazol-5-yl)acetic acid;hydrochloride |
| InChI Key | MWHLCFYPFGFBQO-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClN2O2 |
1-Ethyl-3-methylimidazolium bromide, 98%
CAS: 65039-08-9 Molecular Formula: C6H11BrN2 Molecular Weight (g/mol): 191.07 MDL Number: MFCD03427610 InChI Key: GWQYPLXGJIXMMV-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br PubChem CID: 2734235 SMILES: [Br-].CCN1C=C[N+](C)=C1
| PubChem CID | 2734235 |
|---|---|
| CAS | 65039-08-9 |
| Molecular Weight (g/mol) | 191.07 |
| MDL Number | MFCD03427610 |
| SMILES | [Br-].CCN1C=C[N+](C)=C1 |
| Synonym | 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br |
| InChI Key | GWQYPLXGJIXMMV-UHFFFAOYSA-M |
| Molecular Formula | C6H11BrN2 |
1-Butyl-3-methylimidazolium tetrafluoroborate, 98+%
CAS: 174501-65-6 Molecular Formula: C8H15BF4N2 Molecular Weight (g/mol): 226.03 MDL Number: MFCD03095449 InChI Key: LSBXQLQATZTAPE-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium tetrafluoroborate,1-n-butyl-3-methylimidazolium tetrafluoroborate,3-butyl-1-methyl-1h-imidazol-3-ium tetrafluoroborate,unii-t2tvz2306t,bmimbf4,butylmethylimidazolium tetrafluoroborate,1-butyl-3-methylimidazolium terafluoroborate,1-methyl-3-butylimidazolium tetrafluoroborate,c4mim tetrafluoroborate,1-butyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate PubChem CID: 2734178 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;tetrafluoroborate SMILES: F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1
| PubChem CID | 2734178 |
|---|---|
| CAS | 174501-65-6 |
| Molecular Weight (g/mol) | 226.03 |
| MDL Number | MFCD03095449 |
| SMILES | F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1 |
| Synonym | 1-butyl-3-methylimidazolium tetrafluoroborate,1-n-butyl-3-methylimidazolium tetrafluoroborate,3-butyl-1-methyl-1h-imidazol-3-ium tetrafluoroborate,unii-t2tvz2306t,bmimbf4,butylmethylimidazolium tetrafluoroborate,1-butyl-3-methylimidazolium terafluoroborate,1-methyl-3-butylimidazolium tetrafluoroborate,c4mim tetrafluoroborate,1-butyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate |
| IUPAC Name | 1-butyl-3-methylimidazol-3-ium;tetrafluoroborate |
| InChI Key | LSBXQLQATZTAPE-UHFFFAOYSA-N |
| Molecular Formula | C8H15BF4N2 |
N-(3-Aminopropyl)imidazole, 98%
CAS: 5036-48-6 Molecular Formula: C6H11N3 Molecular Weight (g/mol): 125.18 MDL Number: MFCD00009819 InChI Key: KDHWOCLBMVSZPG-UHFFFAOYSA-N Synonym: 1-3-aminopropyl imidazole,n-3-aminopropyl imidazole,1h-imidazole-1-propanamine,n-3-aminopropyl-imidazole,3-1h-imidazol-1-yl propan-1-amine,3-imidazol-1-ylpropylamine,3-1h-imidazol-1-yl-1-propanamine,1-3-aminopropyl-imidazole,3-imidazol-1-yl propylamine,3-imidazolylpropylamine PubChem CID: 78736 IUPAC Name: 3-imidazol-1-ylpropan-1-amine SMILES: NCCCN1C=CN=C1
| PubChem CID | 78736 |
|---|---|
| CAS | 5036-48-6 |
| Molecular Weight (g/mol) | 125.18 |
| MDL Number | MFCD00009819 |
| SMILES | NCCCN1C=CN=C1 |
| Synonym | 1-3-aminopropyl imidazole,n-3-aminopropyl imidazole,1h-imidazole-1-propanamine,n-3-aminopropyl-imidazole,3-1h-imidazol-1-yl propan-1-amine,3-imidazol-1-ylpropylamine,3-1h-imidazol-1-yl-1-propanamine,1-3-aminopropyl-imidazole,3-imidazol-1-yl propylamine,3-imidazolylpropylamine |
| IUPAC Name | 3-imidazol-1-ylpropan-1-amine |
| InChI Key | KDHWOCLBMVSZPG-UHFFFAOYSA-N |
| Molecular Formula | C6H11N3 |
Thermo Scientific Chemicals Allopurinol, 98%
CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12
| PubChem CID | 2094 |
|---|---|
| CAS | 315-30-0 |
| Molecular Weight (g/mol) | 136.11 |
| ChEBI | CHEBI:40279 |
| MDL Number | MFCD00599413 |
| SMILES | O=C1N=CN=C2NNC=C12 |
| Synonym | allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin |
| IUPAC Name | 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one |
| InChI Key | OFCNXPDARWKPPY-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4O |
1-(4-Piperidyl)-1H-1,2,3-benzotriazole hydrochloride, ≥90%, Thermo Scientific™
CAS: 79098-80-9 Molecular Formula: C11H15ClN4 Molecular Weight (g/mol): 238.719 MDL Number: MFCD00831110 InChI Key: SIZIQJKLJZWLLD-UHFFFAOYSA-N Synonym: 1-4-piperidyl-1h-1,2,3-benzotriazole hydrochloride,1-piperidin-4-ylbenzotriazole hydrochloride,1-piperidin-4-yl benzotriazole hydrochloride,1-piperidin-4-yl-1h-benzotriazole hydrochloride,1-piperidin-4-yl-1,2,3-benzotriazole hydrochloride,c11h14n4.hcl,4-piperidylbenzotriazole, chloride,4-benzotriazol-1-yl-piperidine hcl salt,4-benzotriazol-1-ylpiperidine hydrochloride,1-4-piperidinyl benzotriazole hydrochloride PubChem CID: 2779380 IUPAC Name: 1-piperidin-4-ylbenzotriazole;hydrochloride SMILES: C1CNCCC1N2C3=CC=CC=C3N=N2.Cl
| PubChem CID | 2779380 |
|---|---|
| CAS | 79098-80-9 |
| Molecular Weight (g/mol) | 238.719 |
| MDL Number | MFCD00831110 |
| SMILES | C1CNCCC1N2C3=CC=CC=C3N=N2.Cl |
| Synonym | 1-4-piperidyl-1h-1,2,3-benzotriazole hydrochloride,1-piperidin-4-ylbenzotriazole hydrochloride,1-piperidin-4-yl benzotriazole hydrochloride,1-piperidin-4-yl-1h-benzotriazole hydrochloride,1-piperidin-4-yl-1,2,3-benzotriazole hydrochloride,c11h14n4.hcl,4-piperidylbenzotriazole, chloride,4-benzotriazol-1-yl-piperidine hcl salt,4-benzotriazol-1-ylpiperidine hydrochloride,1-4-piperidinyl benzotriazole hydrochloride |
| IUPAC Name | 1-piperidin-4-ylbenzotriazole;hydrochloride |
| InChI Key | SIZIQJKLJZWLLD-UHFFFAOYSA-N |
| Molecular Formula | C11H15ClN4 |
1,2,4-Triazole, sodium salt, 90%, technical
CAS: 41253-21-8 Molecular Formula: C2H2N3Na Molecular Weight (g/mol): 91.05 MDL Number: MFCD00044437 InChI Key: NVMNEWNGLGACBB-UHFFFAOYSA-N Synonym: sodium 1,2,4-triazol-1-ide,1,2,4-triazolylsodium,1,2,4-triazole sodium derivative,1,2,4-triazole sodium salt,sodium 1,2,4-triazolide,1h-1,2,4-triazole, sodium salt,sodium 1h-1,2,4-triazolate,1,2,4-triazole sodium,sodium 1h-1,2,4-triazolide,1,2,4-triazole, sodium salt PubChem CID: 4649906 IUPAC Name: sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene SMILES: C1=NC=N[N-]1.[Na+]
| PubChem CID | 4649906 |
|---|---|
| CAS | 41253-21-8 |
| Molecular Weight (g/mol) | 91.05 |
| MDL Number | MFCD00044437 |
| SMILES | C1=NC=N[N-]1.[Na+] |
| Synonym | sodium 1,2,4-triazol-1-ide,1,2,4-triazolylsodium,1,2,4-triazole sodium derivative,1,2,4-triazole sodium salt,sodium 1,2,4-triazolide,1h-1,2,4-triazole, sodium salt,sodium 1h-1,2,4-triazolate,1,2,4-triazole sodium,sodium 1h-1,2,4-triazolide,1,2,4-triazole, sodium salt |
| IUPAC Name | sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene |
| InChI Key | NVMNEWNGLGACBB-UHFFFAOYSA-N |
| Molecular Formula | C2H2N3Na |
2-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile, 97%, Thermo Scientific™
CAS: 876316-41-5 Molecular Formula: C10H8N4 Molecular Weight (g/mol): 184.20 MDL Number: MFCD09025846 InChI Key: AFAFVWQAHQRISI-UHFFFAOYSA-N Synonym: 2-1h-1,2,4-triazol-1-ylmethyl benzonitrile,2-1,2,4-triazol-1-ylmethyl benzonitrile,2-1,2,4-triazolylmethyl benzenecarbonitrile,2-1h-1,2,4-triazol-1-yl methyl benzonitrile,benzonitrile,2-1h-1,2,4-triazol-1-ylmethyl PubChem CID: 18525818 IUPAC Name: 2-(1,2,4-triazol-1-ylmethyl)benzonitrile SMILES: N#CC1=CC=CC=C1CN1C=NC=N1
| PubChem CID | 18525818 |
|---|---|
| CAS | 876316-41-5 |
| Molecular Weight (g/mol) | 184.20 |
| MDL Number | MFCD09025846 |
| SMILES | N#CC1=CC=CC=C1CN1C=NC=N1 |
| Synonym | 2-1h-1,2,4-triazol-1-ylmethyl benzonitrile,2-1,2,4-triazol-1-ylmethyl benzonitrile,2-1,2,4-triazolylmethyl benzenecarbonitrile,2-1h-1,2,4-triazol-1-yl methyl benzonitrile,benzonitrile,2-1h-1,2,4-triazol-1-ylmethyl |
| IUPAC Name | 2-(1,2,4-triazol-1-ylmethyl)benzonitrile |
| InChI Key | AFAFVWQAHQRISI-UHFFFAOYSA-N |
| Molecular Formula | C10H8N4 |