Vitas-M small molecule compound
ethyl (5Z)-5-(4-hydroxybenzylidene)-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK028468
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2ccc(cc2)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(11-12-3-9-15(23)10-4-12)29-19(17)21-13-5-7-14(8-6-13)22(26)27/h3-11,21,23H,2H2,1H3/b16-11-InChIKey
KKNBBDJQRWJSGG-WJDWOHSUSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=Cc2ccc(cc2)O)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)O)C1=O)NC3=CC=C(C=C3)(N+)(=O)(O)
ETHYL(5Z)5((4HYDROXYPHENYL)METHYLIDENE)2(4NITROANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(4HYDROXYBENZYLIDENE)2((4NITROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC20H16N2O6Sc122820(25)1718(24)16(11123915(23)10412)2919(17)21135714(8613)22(26)27h3112123H2H21H3b1611
MFCD02108348
STK028468
ZINC000004321369
ZINC04321369
ZINC4321369
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