Vitas-M small molecule compound
ethyl (5Z)-2-[(4-nitrophenyl)amino]-4-oxo-5-(2,3,4-trimethoxybenzylidene)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK012487
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2ccc(c(c2OC)OC)OC)/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 C23H22N2O8S MW 486.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O8S/c1-5-33-23(27)18-19(26)17(12-13-6-11-16(30-2)21(32-4)20(13)31-3)34-22(18)24-14-7-9-15(10-8-14)25(28)29/h6-12,24H,5H2,1-4H3/b17-12-InChIKey
LOKLPVJQJPAVCR-ATVHPVEESA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=Cc2ccc(c(c2OC)OC)OC)C1=O
CCOC(=O)C1=C(SC(=CC2=C(C(=C(C=C2)OC)OC)OC)C1=O)NC3=CC=C(C=C3)(N+)(=O)(O)
ETHYL(5Z)2((4NITROPHENYL)AMINO)4OXO5(234TRIMETHOXYBENZYLIDENE)45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(4NITROANILINO)4OXO5((234TRIMETHOXYPHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
InChI=1SC23H22N2O8Sc153323(27)1819(26)17(121361116(302)21(324)20(13)313)3422(18)24147915(10814)25(28)29h61224H5H214H3b1712
MFCD08049469
STK012487
ZINC000008983510
ZINC08983510
ZINC8983510
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