Organoheterocyclic compounds
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Oncrasin 1 95.0+%, TCI America™
CAS: 75629-57-1 Molecular Formula: C16H12ClNO Molecular Weight (g/mol): 269.73 MDL Number: MFCD01051808 InChI Key: ZDRQMXCSSAPUMM-UHFFFAOYSA-N PubChem CID: 872445 IUPAC Name: 1-[(4-chlorophenyl)methyl]-1H-indole-3-carbaldehyde SMILES: ClC1=CC=C(CN2C=C(C=O)C3=CC=CC=C23)C=C1
| PubChem CID | 872445 |
|---|---|
| CAS | 75629-57-1 |
| Molecular Weight (g/mol) | 269.73 |
| MDL Number | MFCD01051808 |
| SMILES | ClC1=CC=C(CN2C=C(C=O)C3=CC=CC=C23)C=C1 |
| IUPAC Name | 1-[(4-chlorophenyl)methyl]-1H-indole-3-carbaldehyde |
| InChI Key | ZDRQMXCSSAPUMM-UHFFFAOYSA-N |
| Molecular Formula | C16H12ClNO |
4,6-Diamino-2-mercaptopyrimidine 95.0+%, TCI America™
CAS: 1004-39-3 Molecular Formula: C4H6N4S Molecular Weight (g/mol): 142.18 MDL Number: MFCD00006078 InChI Key: QCAWOHUJKPKOMD-UHFFFAOYSA-N Synonym: 4,6-diamino-2-mercaptopyrimidine,4,6-diaminopyrimidine-2-thiol,2-mercapto-4,6-diaminopyrimidine,2 1h-pyrimidinethione, 4,6-diamino,4,6-diamino-2-thiopyrimidine,4,6-diamino-2-pyrimidinethiol,4,6-diaminopyrimidine-2 3h-thione,4,6-diamino-2 1h-pyrimidinethione,qcawohujkpkomd-uhfffaoysa,hydrate PubChem CID: 1201482 IUPAC Name: 4,6-diamino-1H-pyrimidine-2-thione SMILES: C1=C(NC(=S)N=C1N)N
| PubChem CID | 1201482 |
|---|---|
| CAS | 1004-39-3 |
| Molecular Weight (g/mol) | 142.18 |
| MDL Number | MFCD00006078 |
| SMILES | C1=C(NC(=S)N=C1N)N |
| Synonym | 4,6-diamino-2-mercaptopyrimidine,4,6-diaminopyrimidine-2-thiol,2-mercapto-4,6-diaminopyrimidine,2 1h-pyrimidinethione, 4,6-diamino,4,6-diamino-2-thiopyrimidine,4,6-diamino-2-pyrimidinethiol,4,6-diaminopyrimidine-2 3h-thione,4,6-diamino-2 1h-pyrimidinethione,qcawohujkpkomd-uhfffaoysa,hydrate |
| IUPAC Name | 4,6-diamino-1H-pyrimidine-2-thione |
| InChI Key | QCAWOHUJKPKOMD-UHFFFAOYSA-N |
| Molecular Formula | C4H6N4S |
3-Oxabicyclo[3.1.0]hexane-2,4-dione 98.0+%, TCI America™
CAS: 5617-74-3 Molecular Formula: C5H4O3 Molecular Weight (g/mol): 112.084 MDL Number: MFCD00126929 InChI Key: ZRMYHUFDVLRYPN-UHFFFAOYSA-N Synonym: 3-oxabicyclo 3.1.0 hexane-2,4-dione,1,2-cyclopropanedicarboxylic anhydride,oxabicyclohexanedione,pubchem18320,cyclopropane-1,2-dicarboxylic anhydride,2,4-dioxo-3-oxabicyclo 3.1.0 hexane,3-oxa-bicyclo 3.1.0 hexane-2,4-dione,3-oxabicyclo 3.1.0-hexane-2,4-dione,3-oxa-bicyclo 3.1.0-hexane-2,4-dione PubChem CID: 2734721 IUPAC Name: 3-oxabicyclo[3.1.0]hexane-2,4-dione SMILES: C1C2C1C(=O)OC2=O
| PubChem CID | 2734721 |
|---|---|
| CAS | 5617-74-3 |
| Molecular Weight (g/mol) | 112.084 |
| MDL Number | MFCD00126929 |
| SMILES | C1C2C1C(=O)OC2=O |
| Synonym | 3-oxabicyclo 3.1.0 hexane-2,4-dione,1,2-cyclopropanedicarboxylic anhydride,oxabicyclohexanedione,pubchem18320,cyclopropane-1,2-dicarboxylic anhydride,2,4-dioxo-3-oxabicyclo 3.1.0 hexane,3-oxa-bicyclo 3.1.0 hexane-2,4-dione,3-oxabicyclo 3.1.0-hexane-2,4-dione,3-oxa-bicyclo 3.1.0-hexane-2,4-dione |
| IUPAC Name | 3-oxabicyclo[3.1.0]hexane-2,4-dione |
| InChI Key | ZRMYHUFDVLRYPN-UHFFFAOYSA-N |
| Molecular Formula | C5H4O3 |
2,3-Diphenylquinoxaline, TCI America™
CAS: 1684-14-6 Molecular Formula: C20H14N2 Molecular Weight (g/mol): 282.346 MDL Number: MFCD00014659 InChI Key: RSNQVABHABAKEZ-UHFFFAOYSA-N Synonym: quinoxaline, 2,3-diphenyl,quinoxaline,2,3-diphenyl,2,3-diphenyl-quinoxaline,diphenylquinoxaline,quinoxaline,3-diphenyl,acmc-1c07k,2,3-diphenylguinoxaline,2,3-diphenyl-1,4-benzodiazine PubChem CID: 74311 IUPAC Name: 2,3-diphenylquinoxaline SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4
| PubChem CID | 74311 |
|---|---|
| CAS | 1684-14-6 |
| Molecular Weight (g/mol) | 282.346 |
| MDL Number | MFCD00014659 |
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4 |
| Synonym | quinoxaline, 2,3-diphenyl,quinoxaline,2,3-diphenyl,2,3-diphenyl-quinoxaline,diphenylquinoxaline,quinoxaline,3-diphenyl,acmc-1c07k,2,3-diphenylguinoxaline,2,3-diphenyl-1,4-benzodiazine |
| IUPAC Name | 2,3-diphenylquinoxaline |
| InChI Key | RSNQVABHABAKEZ-UHFFFAOYSA-N |
| Molecular Formula | C20H14N2 |
3,5-Dibromopyridine 98.0+%, TCI America™
CAS: 625-92-3 Molecular Formula: C5H3Br2N Molecular Weight (g/mol): 236.89 MDL Number: MFCD00014634 InChI Key: SOSPMXMEOFGPIM-UHFFFAOYSA-N Synonym: pyridine, 3,5-dibromo,3,5-dibromo-pyridine,3,5-dibromo pyridine,3,5-dibrompyridin,zlchem 300,3.5-dibromopyridine,3,5-dibromo-pyridin,pubchem2133,3, 5-dibromopyridine,acmc-1auln PubChem CID: 69369 ChEBI: CHEBI:51593 IUPAC Name: 3,5-dibromopyridine SMILES: BrC1=CC(Br)=CN=C1
| PubChem CID | 69369 |
|---|---|
| CAS | 625-92-3 |
| Molecular Weight (g/mol) | 236.89 |
| ChEBI | CHEBI:51593 |
| MDL Number | MFCD00014634 |
| SMILES | BrC1=CC(Br)=CN=C1 |
| Synonym | pyridine, 3,5-dibromo,3,5-dibromo-pyridine,3,5-dibromo pyridine,3,5-dibrompyridin,zlchem 300,3.5-dibromopyridine,3,5-dibromo-pyridin,pubchem2133,3, 5-dibromopyridine,acmc-1auln |
| IUPAC Name | 3,5-dibromopyridine |
| InChI Key | SOSPMXMEOFGPIM-UHFFFAOYSA-N |
| Molecular Formula | C5H3Br2N |
6,6'-Dithiodinicotinic Acid 98.0+%, TCI America™
CAS: 15658-35-2 Molecular Formula: C12H8N2O4S2 Molecular Weight (g/mol): 308.33 MDL Number: MFCD00006454 InChI Key: GSASOFRDSIKDSN-UHFFFAOYSA-N PubChem CID: 85040 IUPAC Name: 6-[(5-carboxypyridin-2-yl)disulfanyl]pyridine-3-carboxylic acid SMILES: OC(=O)C1=CC=C(SSC2=CC=C(C=N2)C(O)=O)N=C1
| PubChem CID | 85040 |
|---|---|
| CAS | 15658-35-2 |
| Molecular Weight (g/mol) | 308.33 |
| MDL Number | MFCD00006454 |
| SMILES | OC(=O)C1=CC=C(SSC2=CC=C(C=N2)C(O)=O)N=C1 |
| IUPAC Name | 6-[(5-carboxypyridin-2-yl)disulfanyl]pyridine-3-carboxylic acid |
| InChI Key | GSASOFRDSIKDSN-UHFFFAOYSA-N |
| Molecular Formula | C12H8N2O4S2 |
3,6-Di(4-pyridyl)-1,2,4,5-tetrazine 98.0+%, TCI America™
CAS: 57654-36-1 Molecular Formula: C12H8N6 Molecular Weight (g/mol): 236.24 MDL Number: MFCD00129054 InChI Key: MQSMIIJCRWDMDL-UHFFFAOYSA-N Synonym: 3,6-Bis(4-pyridyl)-1,2,4,5-tetrazine PubChem CID: 4980025 IUPAC Name: bis(pyridin-4-yl)-1,2,4,5-tetrazine SMILES: C1=CC(=CC=N1)C1=NN=C(N=N1)C1=CC=NC=C1
| PubChem CID | 4980025 |
|---|---|
| CAS | 57654-36-1 |
| Molecular Weight (g/mol) | 236.24 |
| MDL Number | MFCD00129054 |
| SMILES | C1=CC(=CC=N1)C1=NN=C(N=N1)C1=CC=NC=C1 |
| Synonym | 3,6-Bis(4-pyridyl)-1,2,4,5-tetrazine |
| IUPAC Name | bis(pyridin-4-yl)-1,2,4,5-tetrazine |
| InChI Key | MQSMIIJCRWDMDL-UHFFFAOYSA-N |
| Molecular Formula | C12H8N6 |
5,6-Dihydro-1,4-dithiin-2,3-dicarboximide 97.0+%, TCI America™
CAS: 24519-85-5 Molecular Formula: C6H5NO2S2 Molecular Weight (g/mol): 187.23 MDL Number: MFCD01632185 InChI Key: XNIVQWHLYNEVBN-UHFFFAOYSA-N Synonym: 2,3-Dihydro-1,4-dithiino[2,3-c]pyrrole-5,7-dione PubChem CID: 32477 IUPAC Name: 2H,3H,5H,6H,7H-[1,4]dithiino[2,3-c]pyrrole-5,7-dione SMILES: O=C1NC(=O)C2=C1SCCS2
| PubChem CID | 32477 |
|---|---|
| CAS | 24519-85-5 |
| Molecular Weight (g/mol) | 187.23 |
| MDL Number | MFCD01632185 |
| SMILES | O=C1NC(=O)C2=C1SCCS2 |
| Synonym | 2,3-Dihydro-1,4-dithiino[2,3-c]pyrrole-5,7-dione |
| IUPAC Name | 2H,3H,5H,6H,7H-[1,4]dithiino[2,3-c]pyrrole-5,7-dione |
| InChI Key | XNIVQWHLYNEVBN-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO2S2 |
1,4,5,8-Naphthalenetetracarboxdiimide 95.0+%, TCI America™
CAS: 5690-24-4 Molecular Formula: C14H6N2O4 Molecular Weight (g/mol): 266.21 MDL Number: MFCD00047649 InChI Key: BODUWJSFPLUDMP-UHFFFAOYSA-N PubChem CID: 79771 IUPAC Name: 6,13-diazatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone SMILES: O=C1NC(=O)C2=CC=C3C(=O)NC(=O)C4=CC=C1C2=C34
| PubChem CID | 79771 |
|---|---|
| CAS | 5690-24-4 |
| Molecular Weight (g/mol) | 266.21 |
| MDL Number | MFCD00047649 |
| SMILES | O=C1NC(=O)C2=CC=C3C(=O)NC(=O)C4=CC=C1C2=C34 |
| IUPAC Name | 6,13-diazatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone |
| InChI Key | BODUWJSFPLUDMP-UHFFFAOYSA-N |
| Molecular Formula | C14H6N2O4 |
Ethyl 1-Methylimidazole-2-carboxylate 98.0+%, TCI America™
CAS: 30148-21-1 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.17 MDL Number: MFCD02683326 InChI Key: NOTZYDYZBOBDFE-UHFFFAOYSA-N Synonym: ethyl 1-methyl-1h-imidazole-2-carboxylate,ethyl1-methylimidazole-2-carboxylate,1-methyl-1h-imidazole-2-carboxylic acid ethyl ester,1h-imidazole-2-carboxylic acid, 1-methyl-, ethyl ester,pubchem22681,ethy 1-methylimidazole-2-carboxylate,ethyl 1-methyl-imidazole-2-carboxylate,1-methylimidazole-2-carboxylic acid ethyl ester,1-methyl-1h-imidazole-2-carboxylic acid, ethyl ester,1h-imidazole-2-carboxylicacid, 1-methyl-, ethyl ester PubChem CID: 4261883 IUPAC Name: ethyl 1-methyl-1H-imidazole-2-carboxylate SMILES: CCOC(=O)C1=NC=CN1C
| PubChem CID | 4261883 |
|---|---|
| CAS | 30148-21-1 |
| Molecular Weight (g/mol) | 154.17 |
| MDL Number | MFCD02683326 |
| SMILES | CCOC(=O)C1=NC=CN1C |
| Synonym | ethyl 1-methyl-1h-imidazole-2-carboxylate,ethyl1-methylimidazole-2-carboxylate,1-methyl-1h-imidazole-2-carboxylic acid ethyl ester,1h-imidazole-2-carboxylic acid, 1-methyl-, ethyl ester,pubchem22681,ethy 1-methylimidazole-2-carboxylate,ethyl 1-methyl-imidazole-2-carboxylate,1-methylimidazole-2-carboxylic acid ethyl ester,1-methyl-1h-imidazole-2-carboxylic acid, ethyl ester,1h-imidazole-2-carboxylicacid, 1-methyl-, ethyl ester |
| IUPAC Name | ethyl 1-methyl-1H-imidazole-2-carboxylate |
| InChI Key | NOTZYDYZBOBDFE-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O2 |
2-Fluoro-5-iodopyridine 98.0+%, TCI America™
CAS: 171197-80-1 Molecular Formula: C5H3FIN Molecular Weight (g/mol): 222.99 MDL Number: MFCD03095301 InChI Key: GYZNHUNWABYAPO-UHFFFAOYSA-N Synonym: 2-fluoro-5-iodo pyridine,pyridine, 2-fluoro-5-iodo,2-fluoro-5-iodo-pyridine,abbypharma ap-30-0927,pubchem6324,5-iodo-2-fluoropyridine,acmc-1bao4,ksc493k0d,2-fluoro-5-iodopyridine,2-fluoro-5-iodopyridine 1g PubChem CID: 2783179 IUPAC Name: 2-fluoro-5-iodopyridine SMILES: FC1=CC=C(I)C=N1
| PubChem CID | 2783179 |
|---|---|
| CAS | 171197-80-1 |
| Molecular Weight (g/mol) | 222.99 |
| MDL Number | MFCD03095301 |
| SMILES | FC1=CC=C(I)C=N1 |
| Synonym | 2-fluoro-5-iodo pyridine,pyridine, 2-fluoro-5-iodo,2-fluoro-5-iodo-pyridine,abbypharma ap-30-0927,pubchem6324,5-iodo-2-fluoropyridine,acmc-1bao4,ksc493k0d,2-fluoro-5-iodopyridine,2-fluoro-5-iodopyridine 1g |
| IUPAC Name | 2-fluoro-5-iodopyridine |
| InChI Key | GYZNHUNWABYAPO-UHFFFAOYSA-N |
| Molecular Formula | C5H3FIN |
Serotonin Creatinine Sulfate Monohydrate 98.0+%, TCI America™
CAS: 61-47-2 Molecular Formula: C14H23N5O7S Molecular Weight (g/mol): 405.426 MDL Number: MFCD00149653 InChI Key: BKCXVJIGPVULPX-UHFFFAOYSA-N Synonym: serotonin creatinine sulfate monohydrate,serotonin creatinin-sulfat-1-wasser,unii-6l522laq9u,serotonin creatine sulfate monohydrate,creatinina serotonin sulfuric acid hydrate,1-benzo b thien-3-yl-3-1-pyrrolidinyl-1-propanone hydrochloride,1-propanone, 1-benzo b thien-3-yl-3-1-pyrrolidinyl-, hydrochloride,sulfuric acid compound with 2-imino-1-methylimidazolidin-4-one and 3-2-aminoethyl-1h-indol-5-ol 1:1:1 hydrate,ccris 8960,serotonincreatininesulfatemonohydrate PubChem CID: 164531 IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-methyl-4H-imidazol-5-one;sulfuric acid;hydrate SMILES: CN1CC(=O)N=C1N.C1=CC2=C(C=C1O)C(=CN2)CCN.O.OS(=O)(=O)O
| PubChem CID | 164531 |
|---|---|
| CAS | 61-47-2 |
| Molecular Weight (g/mol) | 405.426 |
| MDL Number | MFCD00149653 |
| SMILES | CN1CC(=O)N=C1N.C1=CC2=C(C=C1O)C(=CN2)CCN.O.OS(=O)(=O)O |
| Synonym | serotonin creatinine sulfate monohydrate,serotonin creatinin-sulfat-1-wasser,unii-6l522laq9u,serotonin creatine sulfate monohydrate,creatinina serotonin sulfuric acid hydrate,1-benzo b thien-3-yl-3-1-pyrrolidinyl-1-propanone hydrochloride,1-propanone, 1-benzo b thien-3-yl-3-1-pyrrolidinyl-, hydrochloride,sulfuric acid compound with 2-imino-1-methylimidazolidin-4-one and 3-2-aminoethyl-1h-indol-5-ol 1:1:1 hydrate,ccris 8960,serotonincreatininesulfatemonohydrate |
| IUPAC Name | 3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-methyl-4H-imidazol-5-one;sulfuric acid;hydrate |
| InChI Key | BKCXVJIGPVULPX-UHFFFAOYSA-N |
| Molecular Formula | C14H23N5O7S |
1,10-Phenanthroline Monohydrate 99.0+%, TCI America™
CAS: 5144-89-8 Molecular Formula: C12H10N2O Molecular Weight (g/mol): 198.23 MDL Number: MFCD00149973 InChI Key: PPQJCISYYXZCAE-UHFFFAOYSA-N Synonym: 1,10-phenanthroline hydrate,1,10-phenanthroline monohydrate,o-phenanthroline monohydrate,unii-ksx215x00e,1,10-fenantrolina,4,5-phenanthroline monohydrate,1,10-phenanthroline, monohydrate,1,10-fenanthrolin,1,10-phenanthrolineo-phenanthroline,1, 10-phenanthroline monohydrate PubChem CID: 21226 IUPAC Name: 1,10-phenanthroline hydrate SMILES: O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1
| PubChem CID | 21226 |
|---|---|
| CAS | 5144-89-8 |
| Molecular Weight (g/mol) | 198.23 |
| MDL Number | MFCD00149973 |
| SMILES | O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1 |
| Synonym | 1,10-phenanthroline hydrate,1,10-phenanthroline monohydrate,o-phenanthroline monohydrate,unii-ksx215x00e,1,10-fenantrolina,4,5-phenanthroline monohydrate,1,10-phenanthroline, monohydrate,1,10-fenanthrolin,1,10-phenanthrolineo-phenanthroline,1, 10-phenanthroline monohydrate |
| IUPAC Name | 1,10-phenanthroline hydrate |
| InChI Key | PPQJCISYYXZCAE-UHFFFAOYSA-N |
| Molecular Formula | C12H10N2O |
2-Methyl-8-nitroquinoline 98.0+%, TCI America™
CAS: 881-07-2 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.19 MDL Number: MFCD00006764 InChI Key: UHPGVDHXHDPYQP-UHFFFAOYSA-N PubChem CID: 13433 IUPAC Name: 2-methyl-8-nitroquinoline SMILES: CC1=CC=C2C=CC=C(C2=N1)[N+]([O-])=O
| PubChem CID | 13433 |
|---|---|
| CAS | 881-07-2 |
| Molecular Weight (g/mol) | 188.19 |
| MDL Number | MFCD00006764 |
| SMILES | CC1=CC=C2C=CC=C(C2=N1)[N+]([O-])=O |
| IUPAC Name | 2-methyl-8-nitroquinoline |
| InChI Key | UHPGVDHXHDPYQP-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O2 |
6-Nitropiperonal 97.0+%, TCI America™
CAS: 712-97-0 Molecular Formula: C8H5NO5 Molecular Weight (g/mol): 195.13 MDL Number: MFCD00005829 InChI Key: NRZWECORTTWSEF-UHFFFAOYSA-N Synonym: 6-nitropiperonal,6-nitrobenzo d 1,3 dioxole-5-carbaldehyde,piperonal, 6-nitro,1,3-benzodioxole, 5-formyl-6-nitro,2-nitro-4,5-methylenedioxybenzaldehyde,4,5-methylenedioxy-2-nitrobenzaldehyde,1,3-benzodioxole-5-carboxaldehyde, 6-nitro,3,4-methylenedioxy-6-nitrobenzaldehyde,6-nitro-1,3-benzodioxole-5-carboxaldehyde PubChem CID: 12840 IUPAC Name: 6-nitro-1,3-benzodioxole-5-carbaldehyde SMILES: C1OC2=C(O1)C=C(C(=C2)C=O)[N+](=O)[O-]
| PubChem CID | 12840 |
|---|---|
| CAS | 712-97-0 |
| Molecular Weight (g/mol) | 195.13 |
| MDL Number | MFCD00005829 |
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=O)[N+](=O)[O-] |
| Synonym | 6-nitropiperonal,6-nitrobenzo d 1,3 dioxole-5-carbaldehyde,piperonal, 6-nitro,1,3-benzodioxole, 5-formyl-6-nitro,2-nitro-4,5-methylenedioxybenzaldehyde,4,5-methylenedioxy-2-nitrobenzaldehyde,1,3-benzodioxole-5-carboxaldehyde, 6-nitro,3,4-methylenedioxy-6-nitrobenzaldehyde,6-nitro-1,3-benzodioxole-5-carboxaldehyde |
| IUPAC Name | 6-nitro-1,3-benzodioxole-5-carbaldehyde |
| InChI Key | NRZWECORTTWSEF-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO5 |