Vitas-M small molecule compound
ethyl (5Z)-2-[(4-nitrophenyl)amino]-4-oxo-5-(pyridin-2-ylmethylidene)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK017066
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2ccccn2)/C1=O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H15N3O5S MW 397.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O5S/c1-2-27-19(24)16-17(23)15(11-13-5-3-4-10-20-13)28-18(16)21-12-6-8-14(9-7-12)22(25)26/h3-11,21H,2H2,1H3/b15-11-InChIKey
IKJMEKSISSSURD-PTNGSMBKSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=Cc2ccccn2)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=CC=N2)C1=O)NC3=CC=C(C=C3)(N+)(=O)(O)
ETHYL(5Z)2((4NITROPHENYL)AMINO)4OXO5(PYRIDIN2YLMETHYLIDENE)45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(4NITROANILINO)4OXO5(PYRIDIN2YLMETHYLIDENE)THIOPHENE3CARBOXYLATE
InChI=1SC19H15N3O5Sc122719(24)1617(23)15(1113534102013)2818(16)21126814(9712)22(25)26h31121H2H21H3b1511
MFCD08049670
STK017066
ZINC000004560975
ZINC04560975
ZINC4560975
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