Organoheterocyclic compounds
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4,5-Imidazoledicarboxylic acid, 99%, Thermo Scientific Chemicals
CAS: 570-22-9 Molecular Formula: C5H4N2O4 Molecular Weight (g/mol): 156.10 MDL Number: MFCD00005200 InChI Key: ZEVWQFWTGHFIDH-UHFFFAOYSA-N Synonym: 4,5-imidazoledicarboxylic acid,imidazole-4,5-dicarboxylic acid,glyoxalinedicarboxylic acid,4,5-dicarboxyimidazole,4,5-imidazoledicarboxylate,glycoxalinedicarboxylic acid,alpha-beta-imidazolecarboxylic acid,alpha,beta-imidazoledicarboxylic acid,4.5-imidazoledicarboxylic acid,4,5-imidazole dicarboxylic acid PubChem CID: 68442 IUPAC Name: 1H-imidazole-4,5-dicarboxylic acid SMILES: OC(=O)C1=C(N=CN1)C(O)=O
| PubChem CID | 68442 |
|---|---|
| CAS | 570-22-9 |
| Molecular Weight (g/mol) | 156.10 |
| MDL Number | MFCD00005200 |
| SMILES | OC(=O)C1=C(N=CN1)C(O)=O |
| Synonym | 4,5-imidazoledicarboxylic acid,imidazole-4,5-dicarboxylic acid,glyoxalinedicarboxylic acid,4,5-dicarboxyimidazole,4,5-imidazoledicarboxylate,glycoxalinedicarboxylic acid,alpha-beta-imidazolecarboxylic acid,alpha,beta-imidazoledicarboxylic acid,4.5-imidazoledicarboxylic acid,4,5-imidazole dicarboxylic acid |
| IUPAC Name | 1H-imidazole-4,5-dicarboxylic acid |
| InChI Key | ZEVWQFWTGHFIDH-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2O4 |
Methyl 2-bromothiazole-4-carboxylate, 96%, Thermo Scientific Chemicals
CAS: 170235-26-4 Molecular Formula: C5H4BrNO2S Molecular Weight (g/mol): 222.056 MDL Number: MFCD06659908 InChI Key: YOWKNNKTQWCYNC-UHFFFAOYSA-N PubChem CID: 2763213 IUPAC Name: methyl 2-bromo-1,3-thiazole-4-carboxylate SMILES: COC(=O)C1=CSC(=N1)Br
| PubChem CID | 2763213 |
|---|---|
| CAS | 170235-26-4 |
| Molecular Weight (g/mol) | 222.056 |
| MDL Number | MFCD06659908 |
| SMILES | COC(=O)C1=CSC(=N1)Br |
| IUPAC Name | methyl 2-bromo-1,3-thiazole-4-carboxylate |
| InChI Key | YOWKNNKTQWCYNC-UHFFFAOYSA-N |
| Molecular Formula | C5H4BrNO2S |
2-Amino-5-bromo-3-iodopyridine, 98%, Thermo Scientific Chemicals
CAS: 381233-96-1 Molecular Formula: C5H4BrIN2 Molecular Weight (g/mol): 298.91 MDL Number: MFCD06659000 InChI Key: XPERZSKJGNUSHI-UHFFFAOYSA-N Synonym: 2-amino-5-bromo-3-iodopyridine,5-bromo-3-iodo-pyridin-2-ylamine,2-amino-3-iodo-5-bromopyridine,5-bromo-3-iodo-2-pyridinamine,2-pyridinamine, 5-bromo-3-iodo,5-bromo-3-iodo-pyridin-2-amine,pubchem8081,acmc-1csc4,ksc495q4p,5-bromo-3-iodopyridine-2-amine PubChem CID: 1516508 IUPAC Name: 5-bromo-3-iodopyridin-2-amine SMILES: NC1=NC=C(Br)C=C1I
| PubChem CID | 1516508 |
|---|---|
| CAS | 381233-96-1 |
| Molecular Weight (g/mol) | 298.91 |
| MDL Number | MFCD06659000 |
| SMILES | NC1=NC=C(Br)C=C1I |
| Synonym | 2-amino-5-bromo-3-iodopyridine,5-bromo-3-iodo-pyridin-2-ylamine,2-amino-3-iodo-5-bromopyridine,5-bromo-3-iodo-2-pyridinamine,2-pyridinamine, 5-bromo-3-iodo,5-bromo-3-iodo-pyridin-2-amine,pubchem8081,acmc-1csc4,ksc495q4p,5-bromo-3-iodopyridine-2-amine |
| IUPAC Name | 5-bromo-3-iodopyridin-2-amine |
| InChI Key | XPERZSKJGNUSHI-UHFFFAOYSA-N |
| Molecular Formula | C5H4BrIN2 |
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-Oxa-5-azaspiro[3.4]octane oxalate, 96%
CAS: 1389264-18-9 Molecular Formula: C8H13NO5 Molecular Weight (g/mol): 203.194 MDL Number: MFCD18325162 InChI Key: JFOZNINEJYPQQK-UHFFFAOYSA-N Synonym: 2-oxa-5-azaspiro 3.4 octane oxalate,2-oxa-5-aza-spiro 3.4 octane oxalate,2-oxa-5-azaspiro 3.4 octane oxalate salt,2-oxa-5-azaspiro 3.4 octane, hemioxalate salt,2-oxa-5-azaspiro 3.4 octane; oxalic acid PubChem CID: 72207353 IUPAC Name: 2-oxa-5-azaspiro[3.4]octane;oxalic acid SMILES: C1CC2(COC2)NC1.C(=O)(C(=O)O)O
| PubChem CID | 72207353 |
|---|---|
| CAS | 1389264-18-9 |
| Molecular Weight (g/mol) | 203.194 |
| MDL Number | MFCD18325162 |
| SMILES | C1CC2(COC2)NC1.C(=O)(C(=O)O)O |
| Synonym | 2-oxa-5-azaspiro 3.4 octane oxalate,2-oxa-5-aza-spiro 3.4 octane oxalate,2-oxa-5-azaspiro 3.4 octane oxalate salt,2-oxa-5-azaspiro 3.4 octane, hemioxalate salt,2-oxa-5-azaspiro 3.4 octane; oxalic acid |
| IUPAC Name | 2-oxa-5-azaspiro[3.4]octane;oxalic acid |
| InChI Key | JFOZNINEJYPQQK-UHFFFAOYSA-N |
| Molecular Formula | C8H13NO5 |
4-Difluoromethoxy-2-fluorobenzeneboronic acid pinacol ester, 96%
CAS: 1628442-55-6 Molecular Formula: C13H16BF3O3 Molecular Weight (g/mol): 288.073 MDL Number: MFCD22419269 InChI Key: LLJRSXMGPKHUQX-UHFFFAOYSA-N Synonym: 2-4-difluoromethoxy-2-fluorophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-difluoromethoxy-2-fluorobenzeneboronic acid pinacol ester PubChem CID: 79661309 IUPAC Name: 2-[4-(difluoromethoxy)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)OC(F)F)F
| PubChem CID | 79661309 |
|---|---|
| CAS | 1628442-55-6 |
| Molecular Weight (g/mol) | 288.073 |
| MDL Number | MFCD22419269 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)OC(F)F)F |
| Synonym | 2-4-difluoromethoxy-2-fluorophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-difluoromethoxy-2-fluorobenzeneboronic acid pinacol ester |
| IUPAC Name | 2-[4-(difluoromethoxy)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | LLJRSXMGPKHUQX-UHFFFAOYSA-N |
| Molecular Formula | C13H16BF3O3 |
2-Iodo-5-(trifluoromethyl)pyridine, 96%
CAS: 100366-75-4 Molecular Formula: C6H3F3IN Molecular Weight (g/mol): 273.00 MDL Number: MFCD08741351 InChI Key: WSEVWIIOEQZEOU-UHFFFAOYSA-N PubChem CID: 22147841 IUPAC Name: 2-iodo-5-(trifluoromethyl)pyridine SMILES: FC(F)(F)C1=CN=C(I)C=C1
| PubChem CID | 22147841 |
|---|---|
| CAS | 100366-75-4 |
| Molecular Weight (g/mol) | 273.00 |
| MDL Number | MFCD08741351 |
| SMILES | FC(F)(F)C1=CN=C(I)C=C1 |
| IUPAC Name | 2-iodo-5-(trifluoromethyl)pyridine |
| InChI Key | WSEVWIIOEQZEOU-UHFFFAOYSA-N |
| Molecular Formula | C6H3F3IN |
2-Methylpyrimidine, 98%
CAS: 5053-43-0 Molecular Formula: C5H6N2 Molecular Weight (g/mol): 94.11 InChI Key: LNJMHEJAYSYZKK-UHFFFAOYSA-N Synonym: pyrimidine, 2-methyl,2-methyl pyrimidine,pubchem21974,2-methyl-1,3-diazine,2-methylpyrimidine,pyrimidine, 2-methyl-6ci,7ci,8ci,9ci PubChem CID: 78748 IUPAC Name: 2-methylpyrimidine SMILES: CC1=NC=CC=N1
| PubChem CID | 78748 |
|---|---|
| CAS | 5053-43-0 |
| Molecular Weight (g/mol) | 94.11 |
| SMILES | CC1=NC=CC=N1 |
| Synonym | pyrimidine, 2-methyl,2-methyl pyrimidine,pubchem21974,2-methyl-1,3-diazine,2-methylpyrimidine,pyrimidine, 2-methyl-6ci,7ci,8ci,9ci |
| IUPAC Name | 2-methylpyrimidine |
| InChI Key | LNJMHEJAYSYZKK-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2 |
2-Amino-6-chloropyridine, 97%
CAS: 45644-21-1 Molecular Formula: C5H5ClN2 Molecular Weight (g/mol): 128.56 MDL Number: MFCD00234068 InChI Key: OBYJTLDIQBWBHM-UHFFFAOYSA-N Synonym: 2-amino-6-chloropyridine,2-chloro-6-aminopyridine,2-pyridinamine, 6-chloro,6-chloro-2-pyridinamine,6-chloro-pyridin-2-ylamine,pyridine, 2-amino-6-chloro,6-chloropyridin-2-ylamine,6-chloro-2-pyridylamine,6-amino-2-chloropyridine,2-amino-6-chloropyridine 6-chloropyridin-2-ylamine PubChem CID: 206246 IUPAC Name: 6-chloropyridin-2-amine SMILES: C1=CC(=NC(=C1)Cl)N
| PubChem CID | 206246 |
|---|---|
| CAS | 45644-21-1 |
| Molecular Weight (g/mol) | 128.56 |
| MDL Number | MFCD00234068 |
| SMILES | C1=CC(=NC(=C1)Cl)N |
| Synonym | 2-amino-6-chloropyridine,2-chloro-6-aminopyridine,2-pyridinamine, 6-chloro,6-chloro-2-pyridinamine,6-chloro-pyridin-2-ylamine,pyridine, 2-amino-6-chloro,6-chloropyridin-2-ylamine,6-chloro-2-pyridylamine,6-amino-2-chloropyridine,2-amino-6-chloropyridine 6-chloropyridin-2-ylamine |
| IUPAC Name | 6-chloropyridin-2-amine |
| InChI Key | OBYJTLDIQBWBHM-UHFFFAOYSA-N |
| Molecular Formula | C5H5ClN2 |
3-Bromo-6-chloroimidazo[1,2-a]pyridine, 95%, Thermo Scientific Chemicals
CAS: 886371-28-4 Molecular Formula: C7H4BrClN2 Molecular Weight (g/mol): 231.477 MDL Number: MFCD08667858 InChI Key: LIBKDAUSMLPFBF-UHFFFAOYSA-N Synonym: 3-bromo-6-chloroimidazo 1,2-a pyridine,6-chloro-3-bromo-imidazo 1,2-a pyridine,acmc-209qvk,3-bromo-6-chloro-imidazo 1,2-a pyridine,imidazo 1,2-a pyridine, 3-bromo-6-chloro PubChem CID: 45790042 IUPAC Name: 3-bromo-6-chloroimidazo[1,2-a]pyridine SMILES: C1=CC2=NC=C(N2C=C1Cl)Br
| PubChem CID | 45790042 |
|---|---|
| CAS | 886371-28-4 |
| Molecular Weight (g/mol) | 231.477 |
| MDL Number | MFCD08667858 |
| SMILES | C1=CC2=NC=C(N2C=C1Cl)Br |
| Synonym | 3-bromo-6-chloroimidazo 1,2-a pyridine,6-chloro-3-bromo-imidazo 1,2-a pyridine,acmc-209qvk,3-bromo-6-chloro-imidazo 1,2-a pyridine,imidazo 1,2-a pyridine, 3-bromo-6-chloro |
| IUPAC Name | 3-bromo-6-chloroimidazo[1,2-a]pyridine |
| InChI Key | LIBKDAUSMLPFBF-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClN2 |
2-[4-(1,3,4-Oxadiazol-2-yl)phenoxy]acetamidoxime, 97%
CAS: 258521-20-9 Molecular Formula: C10H10N4O3 Molecular Weight (g/mol): 234.22 MDL Number: MFCD01764763 InChI Key: RNDSGEINHPCNQK-UHFFFAOYSA-N Synonym: 2-4-1,3,4-oxadiazol-2-yl phenoxy acetamidoxime,1-hydroxyimino-2-4-1,3,4-oxadiazol-2-yl phenoxy ethylamine PubChem CID: 57376339 IUPAC Name: N'-hydroxy-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanimidamide SMILES: NC(COC1=CC=C(C=C1)C1=NN=CO1)=NO
| PubChem CID | 57376339 |
|---|---|
| CAS | 258521-20-9 |
| Molecular Weight (g/mol) | 234.22 |
| MDL Number | MFCD01764763 |
| SMILES | NC(COC1=CC=C(C=C1)C1=NN=CO1)=NO |
| Synonym | 2-4-1,3,4-oxadiazol-2-yl phenoxy acetamidoxime,1-hydroxyimino-2-4-1,3,4-oxadiazol-2-yl phenoxy ethylamine |
| IUPAC Name | N'-hydroxy-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanimidamide |
| InChI Key | RNDSGEINHPCNQK-UHFFFAOYSA-N |
| Molecular Formula | C10H10N4O3 |
MBD, 98%
CAS: 33984-50-8 Molecular Formula: C14H12N4O4 Molecular Weight (g/mol): 300.26 InChI Key: IENONFJSMWUIQQ-UHFFFAOYSA-N Synonym: 4-4-methoxybenzylamino-7-nitrobenzofurazan,4-4-methoxybenzylamino-7-nitro-2,1,3-benzoxadiazole,mbd,7-p-methoxybenzylamino-4-nitrobenz-2-oxa-1,3-diazole,2,1,3-benzoxadiazol-4-amine, n-4-methoxyphenyl methyl-7-nitro,benzofurazan, 4-p-methoxybenzyl amino-7-nitro,n-4-methoxyphenyl methyl-7-nitro-2,1,3-benzoxadiazol-4-amine PubChem CID: 99555 IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-7-amine SMILES: COC1=CC=C(C=C1)CNC2=CC=C(C3=NON=C23)[N+](=O)[O-]
| PubChem CID | 99555 |
|---|---|
| CAS | 33984-50-8 |
| Molecular Weight (g/mol) | 300.26 |
| SMILES | COC1=CC=C(C=C1)CNC2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| Synonym | 4-4-methoxybenzylamino-7-nitrobenzofurazan,4-4-methoxybenzylamino-7-nitro-2,1,3-benzoxadiazole,mbd,7-p-methoxybenzylamino-4-nitrobenz-2-oxa-1,3-diazole,2,1,3-benzoxadiazol-4-amine, n-4-methoxyphenyl methyl-7-nitro,benzofurazan, 4-p-methoxybenzyl amino-7-nitro,n-4-methoxyphenyl methyl-7-nitro-2,1,3-benzoxadiazol-4-amine |
| IUPAC Name | N-[(4-methoxyphenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-7-amine |
| InChI Key | IENONFJSMWUIQQ-UHFFFAOYSA-N |
| Molecular Formula | C14H12N4O4 |
3-Amino-4-iodo-1H-indazole, 95%, Thermo Scientific™
CAS: 599191-73-8 Molecular Formula: C7H6IN3 Molecular Weight (g/mol): 259.05 MDL Number: MFCD03426697 InChI Key: OEQIVIYSUJXCFG-UHFFFAOYSA-N Synonym: 4-iodo-1h-indazol-3-ylamine,3-amino-4-iodo-1h-indazole,1h-indazol-3-amine, 4-iodo,3-amino-4-iodoindazole,4-iodo-1h-indazol-amine,ksc268o0n,4-iodo-1h-indazole-3-amine,4-iodo-1h-indazole-3-ylamine,3-amino-4-iodo-indazole PubChem CID: 4057787 IUPAC Name: 4-iodo-1H-indazol-3-amine SMILES: NC1=NNC2=CC=CC(I)=C12
| PubChem CID | 4057787 |
|---|---|
| CAS | 599191-73-8 |
| Molecular Weight (g/mol) | 259.05 |
| MDL Number | MFCD03426697 |
| SMILES | NC1=NNC2=CC=CC(I)=C12 |
| Synonym | 4-iodo-1h-indazol-3-ylamine,3-amino-4-iodo-1h-indazole,1h-indazol-3-amine, 4-iodo,3-amino-4-iodoindazole,4-iodo-1h-indazol-amine,ksc268o0n,4-iodo-1h-indazole-3-amine,4-iodo-1h-indazole-3-ylamine,3-amino-4-iodo-indazole |
| IUPAC Name | 4-iodo-1H-indazol-3-amine |
| InChI Key | OEQIVIYSUJXCFG-UHFFFAOYSA-N |
| Molecular Formula | C7H6IN3 |
5-Chloro-1,2,4-triazolo[4,3-a]pyridine, 97%
CAS: 27187-13-9 Molecular Formula: C6H4ClN3 Molecular Weight (g/mol): 153.57 MDL Number: MFCD11109431 InChI Key: FBQZXTMUYNKLRF-UHFFFAOYSA-N Synonym: 5-chloro-1,2,4 triazolo 4,3-a pyridine,5-chloro-1,2,4-triazolo 4,3-a pyridine,1,2,4-triazolo 4,3-a pyridine, 5-chloro,5-chloro 1,2,4 triazolo 4,3-a pyridine PubChem CID: 324440 IUPAC Name: 5-chloro-[1,2,4]triazolo[4,3-a]pyridine SMILES: ClC1=CC=CC2=NN=CN12
| PubChem CID | 324440 |
|---|---|
| CAS | 27187-13-9 |
| Molecular Weight (g/mol) | 153.57 |
| MDL Number | MFCD11109431 |
| SMILES | ClC1=CC=CC2=NN=CN12 |
| Synonym | 5-chloro-1,2,4 triazolo 4,3-a pyridine,5-chloro-1,2,4-triazolo 4,3-a pyridine,1,2,4-triazolo 4,3-a pyridine, 5-chloro,5-chloro 1,2,4 triazolo 4,3-a pyridine |
| IUPAC Name | 5-chloro-[1,2,4]triazolo[4,3-a]pyridine |
| InChI Key | FBQZXTMUYNKLRF-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClN3 |
Ethyl (R)-nipecotate L-tartrate, 98%, Thermo Scientific Chemicals
CAS: 167392-57-6 Molecular Formula: C12H21NO8 Molecular Weight (g/mol): 307.299 MDL Number: MFCD00799538 InChI Key: HHPGQKZOPPDLNH-RATVZYDNSA-N Synonym: s,s-tartaric acid; ethyl 3r-piperidine-3-carboxylate,3s-2,3-bis oxidanyl butanedioic acid; ethyl 3r-piperidine-3-carboxylate,3s-2,3-dihydroxybutanedioic acid; 3r-3-piperidinecarboxylic acid ethyl ester PubChem CID: 53249980 IUPAC Name: (3S)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate SMILES: CCOC(=O)C1CCCNC1.C(C(C(=O)O)O)(C(=O)O)O
| PubChem CID | 53249980 |
|---|---|
| CAS | 167392-57-6 |
| Molecular Weight (g/mol) | 307.299 |
| MDL Number | MFCD00799538 |
| SMILES | CCOC(=O)C1CCCNC1.C(C(C(=O)O)O)(C(=O)O)O |
| Synonym | s,s-tartaric acid; ethyl 3r-piperidine-3-carboxylate,3s-2,3-bis oxidanyl butanedioic acid; ethyl 3r-piperidine-3-carboxylate,3s-2,3-dihydroxybutanedioic acid; 3r-3-piperidinecarboxylic acid ethyl ester |
| IUPAC Name | (3S)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate |
| InChI Key | HHPGQKZOPPDLNH-RATVZYDNSA-N |
| Molecular Formula | C12H21NO8 |