Vitas-M small molecule compound
ethyl (5Z)-5-(3-hydroxybenzylidene)-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158370
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2cccc(c2)O)/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 C20H16N2O6S MW 412.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O6S/c1-2-28-20(25)17-18(24)16(11-12-4-3-5-15(23)10-12)29-19(17)21-13-6-8-14(9-7-13)22(26)27/h3-11,21,23H,2H2,1H3/b16-11-InChIKey
KHULRQCVCGHDIG-WJDWOHSUSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=Cc2cccc(c2)O)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)O)C1=O)NC3=CC=C(C=C3)(N+)(=O)(O)
ETHYL(5Z)5((3HYDROXYPHENYL)METHYLIDENE)2(4NITROANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(3HYDROXYBENZYLIDENE)2((4NITROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC20H16N2O6Sc122820(25)1718(24)16(111243515(23)1012)2919(17)21136814(9713)22(26)27h3112123H2H21H3b1611
MFCD02215017
ZINC000004688340
ZINC04688340
ZINC4688340
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