Vitas-M small molecule compound
ethyl (5Z)-2-[(4-nitrophenyl)amino]-4-oxo-5-(2,4,5-trimethoxybenzylidene)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK081782
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2cc(OC)c(cc2OC)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)20-21(26)19(11-13-10-17(31-3)18(32-4)12-16(13)30-2)34-22(20)24-14-6-8-15(9-7-14)25(28)29/h6-12,24H,5H2,1-4H3/b19-11-InChIKey
VLZHZSSADGAJEC-ODLFYWEKSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=Cc2cc(OC)c(cc2OC)OC)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2OC)OC)OC)C1=O)NC3=CC=C(C=C3)(N+)(=O)(O)
ETHYL(5Z)2((4NITROPHENYL)AMINO)4OXO5(245TRIMETHOXYBENZYLIDENE)45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(4NITROANILINO)4OXO5((245TRIMETHOXYPHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
InChI=1SC23H22N2O8Sc153323(27)2021(26)19(11131017(313)18(324)1216(13)302)3422(20)24146815(9714)25(28)29h61224H5H214H3b1911
MFCD08679715
STK081782
ZINC000009678641
ZINC09678641
ZINC9678641
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