Azoles
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1,3-Dimethylimidazolium Bis(trifluoromethanesulfonyl)imide 98.0+%, TCI America™
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CAS: 174899-81-1 Molecular Formula: C7H9F6N3O4S2 Molecular Weight (g/mol): 377.276 MDL Number: MFCD18251322 InChI Key: SAYMDKMGIAANGQ-UHFFFAOYSA-N PubChem CID: 11349411 IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1,3-dimethylimidazol-1-ium SMILES: CN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
| PubChem CID | 11349411 |
|---|---|
| CAS | 174899-81-1 |
| Molecular Weight (g/mol) | 377.276 |
| MDL Number | MFCD18251322 |
| SMILES | CN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F |
| IUPAC Name | bis(trifluoromethylsulfonyl)azanide;1,3-dimethylimidazol-1-ium |
| InChI Key | SAYMDKMGIAANGQ-UHFFFAOYSA-N |
| Molecular Formula | C7H9F6N3O4S2 |
2-(4-Bromophenyl)benzoxazole 98.0+%, TCI America™
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CAS: 3164-13-4 Molecular Formula: C13H8BrNO Molecular Weight (g/mol): 274.12 MDL Number: MFCD00168898 InChI Key: RBVHJNZMSBQFDK-UHFFFAOYSA-N PubChem CID: 12846715 IUPAC Name: 2-(4-bromophenyl)-1,3-benzoxazole SMILES: BrC1=CC=C(C=C1)C1=NC2=CC=CC=C2O1
| PubChem CID | 12846715 |
|---|---|
| CAS | 3164-13-4 |
| Molecular Weight (g/mol) | 274.12 |
| MDL Number | MFCD00168898 |
| SMILES | BrC1=CC=C(C=C1)C1=NC2=CC=CC=C2O1 |
| IUPAC Name | 2-(4-bromophenyl)-1,3-benzoxazole |
| InChI Key | RBVHJNZMSBQFDK-UHFFFAOYSA-N |
| Molecular Formula | C13H8BrNO |
1-Ethyl-3-methylimidazolium p-Toluenesulfonate 98.0+%, TCI America™
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CAS: 328090-25-1 Molecular Formula: C13H18N2O3S Molecular Weight (g/mol): 282.358 InChI Key: HXMUPILCYSJMLQ-UHFFFAOYSA-M PubChem CID: 10636633 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;4-methylbenzenesulfonate SMILES: CCN1C=C[N+](=C1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]
| PubChem CID | 10636633 |
|---|---|
| CAS | 328090-25-1 |
| Molecular Weight (g/mol) | 282.358 |
| SMILES | CCN1C=C[N+](=C1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| IUPAC Name | 1-ethyl-3-methylimidazol-3-ium;4-methylbenzenesulfonate |
| InChI Key | HXMUPILCYSJMLQ-UHFFFAOYSA-M |
| Molecular Formula | C13H18N2O3S |
1-Ethyl-3-methylimidazolium Trifluoroacetate 97.0+%, TCI America™
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CAS: 174899-65-1 Molecular Formula: C8H11F3N2O2 Molecular Weight (g/mol): 224.18 MDL Number: MFCD08458492 InChI Key: JOKVYNJKBRLDAT-UHFFFAOYSA-M PubChem CID: 9815936 IUPAC Name: 1-ethyl-3-methyl-1H-imidazol-3-ium trifluoroacetate SMILES: [O-]C(=O)C(F)(F)F.CCN1C=C[N+](C)=C1
| PubChem CID | 9815936 |
|---|---|
| CAS | 174899-65-1 |
| Molecular Weight (g/mol) | 224.18 |
| MDL Number | MFCD08458492 |
| SMILES | [O-]C(=O)C(F)(F)F.CCN1C=C[N+](C)=C1 |
| IUPAC Name | 1-ethyl-3-methyl-1H-imidazol-3-ium trifluoroacetate |
| InChI Key | JOKVYNJKBRLDAT-UHFFFAOYSA-M |
| Molecular Formula | C8H11F3N2O2 |
2-Methyl-5-nitroimidazole-1-ethanol 99.0+%, TCI America™
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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-Butyl-5-chloro-1H-imidazole-4-carboxaldehyde 98.0+%, TCI America™
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CAS: 83857-96-9 Molecular Formula: C8H11ClN2O Molecular Weight (g/mol): 186.64 MDL Number: MFCD01934396 InChI Key: JLVIHQCWASNXCK-UHFFFAOYSA-N Synonym: 2-butyl-4-chloro-5-formylimidazole,2-butyl-4-chloro-1h-imidazole-5-carbaldehyde,unii-7h170u0swe,2-butyl-5-chloroimidazole-4-carbaldehyde,2-butyl-5-chloro-3h-imidazole-4-carbaldehyde,2-butyl-4 5-chloro-5 4 imidazolecarboxaldehyde,1h-imidazole-4-carboxaldehyde, 2-butyl-5-chloro,2-butyl-4-chloro-1h-imidazole-5-carboxaldehyde,2-butyl-4-chloro-5-formylimidazloe,2-n-butyl-4-chloro-5-formylimidazole PubChem CID: 55176 IUPAC Name: 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde SMILES: CCCCC1=NC(C=O)=C(Cl)N1
| PubChem CID | 55176 |
|---|---|
| CAS | 83857-96-9 |
| Molecular Weight (g/mol) | 186.64 |
| MDL Number | MFCD01934396 |
| SMILES | CCCCC1=NC(C=O)=C(Cl)N1 |
| Synonym | 2-butyl-4-chloro-5-formylimidazole,2-butyl-4-chloro-1h-imidazole-5-carbaldehyde,unii-7h170u0swe,2-butyl-5-chloroimidazole-4-carbaldehyde,2-butyl-5-chloro-3h-imidazole-4-carbaldehyde,2-butyl-4 5-chloro-5 4 imidazolecarboxaldehyde,1h-imidazole-4-carboxaldehyde, 2-butyl-5-chloro,2-butyl-4-chloro-1h-imidazole-5-carboxaldehyde,2-butyl-4-chloro-5-formylimidazloe,2-n-butyl-4-chloro-5-formylimidazole |
| IUPAC Name | 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde |
| InChI Key | JLVIHQCWASNXCK-UHFFFAOYSA-N |
| Molecular Formula | C8H11ClN2O |
2-Amino-4-(3,4-dichlorophenyl)thiazole 98.0+%, TCI America™
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CAS: 39893-80-6 Molecular Formula: C9H6Cl2N2S Molecular Weight (g/mol): 245.12 MDL Number: MFCD00466323 InChI Key: UWAXMUSNRIUHRQ-UHFFFAOYSA-N Synonym: 4-(3,4-Dichlorophenyl)-2-thiazolamine PubChem CID: 618536 IUPAC Name: 4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine SMILES: NC1=NC(=CS1)C1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 618536 |
|---|---|
| CAS | 39893-80-6 |
| Molecular Weight (g/mol) | 245.12 |
| MDL Number | MFCD00466323 |
| SMILES | NC1=NC(=CS1)C1=CC=C(Cl)C(Cl)=C1 |
| Synonym | 4-(3,4-Dichlorophenyl)-2-thiazolamine |
| IUPAC Name | 4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine |
| InChI Key | UWAXMUSNRIUHRQ-UHFFFAOYSA-N |
| Molecular Formula | C9H6Cl2N2S |
1,3-Di(1-adamantyl)imidazolium Tetrafluoroborate 96.0+%, TCI America™
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CAS: 286014-42-4 Molecular Formula: C23H33BF4N2 Molecular Weight (g/mol): 424.335 MDL Number: MFCD04973311 InChI Key: KVWCCJYLKCSVME-UHFFFAOYSA-N Synonym: 1,3-bis 1-adamantyl imidazolium tetrafluoroborate,1,3-di 1-adamantyl imidazolium tetrafluoroborate,1,3-di adamantan-1-yl-1h-imidazol-3-ium tetrafluoroborate,1,3-bis adamantan-1-yl-1??-imidazol-1-ylium tetrafluoroborate,iad.hbf4,acmc-209h3n,1,3-diadamantyl-imidazolium tetrafluoroborate,1,3-di 1-adamantyl imidazoliumtetrafluoroborate,1,3-bis tricyclo 3.3.1.13,7 dec-1-yl-1h-imidazolium tetrafluoroborate PubChem CID: 16218105 IUPAC Name: 1,3-bis(1-adamantyl)imidazol-1-ium;tetrafluoroborate SMILES: [B-](F)(F)(F)F.C1C2CC3CC1CC(C2)(C3)N4C=C[N+](=C4)C56CC7CC(C5)CC(C7)C6
| PubChem CID | 16218105 |
|---|---|
| CAS | 286014-42-4 |
| Molecular Weight (g/mol) | 424.335 |
| MDL Number | MFCD04973311 |
| SMILES | [B-](F)(F)(F)F.C1C2CC3CC1CC(C2)(C3)N4C=C[N+](=C4)C56CC7CC(C5)CC(C7)C6 |
| Synonym | 1,3-bis 1-adamantyl imidazolium tetrafluoroborate,1,3-di 1-adamantyl imidazolium tetrafluoroborate,1,3-di adamantan-1-yl-1h-imidazol-3-ium tetrafluoroborate,1,3-bis adamantan-1-yl-1??-imidazol-1-ylium tetrafluoroborate,iad.hbf4,acmc-209h3n,1,3-diadamantyl-imidazolium tetrafluoroborate,1,3-di 1-adamantyl imidazoliumtetrafluoroborate,1,3-bis tricyclo 3.3.1.13,7 dec-1-yl-1h-imidazolium tetrafluoroborate |
| IUPAC Name | 1,3-bis(1-adamantyl)imidazol-1-ium;tetrafluoroborate |
| InChI Key | KVWCCJYLKCSVME-UHFFFAOYSA-N |
| Molecular Formula | C23H33BF4N2 |
1-(Chloromethyl)-1H-benzotriazole 98.0+%, TCI America™
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CAS: 54187-96-1 Molecular Formula: C7H6ClN3 Molecular Weight (g/mol): 167.60 MDL Number: MFCD00216649 InChI Key: VSEROABGEVRIRY-UHFFFAOYSA-N PubChem CID: 3328222 IUPAC Name: 1-(chloromethyl)-1H-1,2,3-benzotriazole SMILES: ClCN1N=NC2=CC=CC=C12
| PubChem CID | 3328222 |
|---|---|
| CAS | 54187-96-1 |
| Molecular Weight (g/mol) | 167.60 |
| MDL Number | MFCD00216649 |
| SMILES | ClCN1N=NC2=CC=CC=C12 |
| IUPAC Name | 1-(chloromethyl)-1H-1,2,3-benzotriazole |
| InChI Key | VSEROABGEVRIRY-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClN3 |
4-Fluoroindazole 98.0+%, TCI America™
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CAS: 341-23-1 Molecular Formula: C7H5FN2 Molecular Weight (g/mol): 136.129 MDL Number: MFCD07371561 InChI Key: YTNDJUBXSVSRQK-UHFFFAOYSA-N PubChem CID: 22477757 IUPAC Name: 4-fluoro-1H-indazole SMILES: C1=CC2=C(C=NN2)C(=C1)F
| PubChem CID | 22477757 |
|---|---|
| CAS | 341-23-1 |
| Molecular Weight (g/mol) | 136.129 |
| MDL Number | MFCD07371561 |
| SMILES | C1=CC2=C(C=NN2)C(=C1)F |
| IUPAC Name | 4-fluoro-1H-indazole |
| InChI Key | YTNDJUBXSVSRQK-UHFFFAOYSA-N |
| Molecular Formula | C7H5FN2 |
Febuxostat 97.0+%, TCI America™
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CAS: 144060-53-7 Molecular Formula: C16H16N2O3S Molecular Weight (g/mol): 316.38 MDL Number: MFCD00871598 InChI Key: BQSJTQLCZDPROO-UHFFFAOYSA-N Synonym: febuxostat,adenuric,uloric,feburic,tmx 67,2-3-cyano-4-isobutoxyphenyl-4-methylthiazole-5-carboxylic acid,tmx-67,febuxostat usan,unii-101v0r1n2e,uloric tn PubChem CID: 134018 ChEBI: CHEBI:45943 IUPAC Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid SMILES: CC(C)COC1=CC=C(C=C1C#N)C1=NC(C)=C(S1)C(O)=O
| PubChem CID | 134018 |
|---|---|
| CAS | 144060-53-7 |
| Molecular Weight (g/mol) | 316.38 |
| ChEBI | CHEBI:45943 |
| MDL Number | MFCD00871598 |
| SMILES | CC(C)COC1=CC=C(C=C1C#N)C1=NC(C)=C(S1)C(O)=O |
| Synonym | febuxostat,adenuric,uloric,feburic,tmx 67,2-3-cyano-4-isobutoxyphenyl-4-methylthiazole-5-carboxylic acid,tmx-67,febuxostat usan,unii-101v0r1n2e,uloric tn |
| IUPAC Name | 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid |
| InChI Key | BQSJTQLCZDPROO-UHFFFAOYSA-N |
| Molecular Formula | C16H16N2O3S |
1-Methyl-3-propylimidazolium Iodide 97.0+%, TCI America™
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CAS: 119171-18-5 Molecular Formula: C7H13IN2 Molecular Weight (g/mol): 252.10 MDL Number: MFCD08276385 InChI Key: IVCMUVGRRDWTDK-UHFFFAOYSA-M Synonym: 1-methyl-3-propylimidazolium iodide,1-propyl-3-methylimidazolium iodide,1-methyl-3-n-propylimidazolium iodide,1-methyl-3-propylimidazol-1-ium iodide,acmc-1c1fw,dsstox_cid_29063,dsstox_rid_83282,dsstox_gsid_49207,ksc491c6t,1-methyl-3-propylimidazoliumiodide PubChem CID: 12971008 IUPAC Name: 3-methyl-1-propyl-1H-imidazol-3-ium iodide SMILES: [I-].CCCN1C=C[N+](C)=C1
| PubChem CID | 12971008 |
|---|---|
| CAS | 119171-18-5 |
| Molecular Weight (g/mol) | 252.10 |
| MDL Number | MFCD08276385 |
| SMILES | [I-].CCCN1C=C[N+](C)=C1 |
| Synonym | 1-methyl-3-propylimidazolium iodide,1-propyl-3-methylimidazolium iodide,1-methyl-3-n-propylimidazolium iodide,1-methyl-3-propylimidazol-1-ium iodide,acmc-1c1fw,dsstox_cid_29063,dsstox_rid_83282,dsstox_gsid_49207,ksc491c6t,1-methyl-3-propylimidazoliumiodide |
| IUPAC Name | 3-methyl-1-propyl-1H-imidazol-3-ium iodide |
| InChI Key | IVCMUVGRRDWTDK-UHFFFAOYSA-M |
| Molecular Formula | C7H13IN2 |
1-Hexyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide 98.0+%, TCI America™
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CAS: 382150-50-7 Molecular Formula: C12H19F6N3O4S2 Molecular Weight (g/mol): 447.411 MDL Number: MFCD08458931 InChI Key: RCNFOZUBFOFJKZ-UHFFFAOYSA-N PubChem CID: 10411334 IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium SMILES: CCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
| PubChem CID | 10411334 |
|---|---|
| CAS | 382150-50-7 |
| Molecular Weight (g/mol) | 447.411 |
| MDL Number | MFCD08458931 |
| SMILES | CCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F |
| IUPAC Name | bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium |
| InChI Key | RCNFOZUBFOFJKZ-UHFFFAOYSA-N |
| Molecular Formula | C12H19F6N3O4S2 |
1-Hexyl-2,3-dimethylimidazolium Iodide 98.0+%, TCI America™
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CAS: 288627-94-1 Molecular Formula: C11H21IN2 Molecular Weight (g/mol): 308.207 InChI Key: YYXZQUOJBJOARI-UHFFFAOYSA-M PubChem CID: 53384397 IUPAC Name: 1-hexyl-2,3-dimethylimidazol-3-ium;iodide SMILES: CCCCCCN1C=C[N+](=C1C)C.[I-]
| PubChem CID | 53384397 |
|---|---|
| CAS | 288627-94-1 |
| Molecular Weight (g/mol) | 308.207 |
| SMILES | CCCCCCN1C=C[N+](=C1C)C.[I-] |
| IUPAC Name | 1-hexyl-2,3-dimethylimidazol-3-ium;iodide |
| InChI Key | YYXZQUOJBJOARI-UHFFFAOYSA-M |
| Molecular Formula | C11H21IN2 |
1,2,4,5-Tetramethylimidazole 98.0+%, TCI America™
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CAS: 1739-83-9 Molecular Formula: C7H12N2 Molecular Weight (g/mol): 124.187 MDL Number: MFCD00059162 InChI Key: WLUJHMKCLOIRSK-UHFFFAOYSA-N PubChem CID: 74444 IUPAC Name: 1,2,4,5-tetramethylimidazole SMILES: CC1=C(N(C(=N1)C)C)C
| PubChem CID | 74444 |
|---|---|
| CAS | 1739-83-9 |
| Molecular Weight (g/mol) | 124.187 |
| MDL Number | MFCD00059162 |
| SMILES | CC1=C(N(C(=N1)C)C)C |
| IUPAC Name | 1,2,4,5-tetramethylimidazole |
| InChI Key | WLUJHMKCLOIRSK-UHFFFAOYSA-N |
| Molecular Formula | C7H12N2 |