Vitas-M small molecule compound
ethyl (5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK091626
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2ccc(c(c2)OCC)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 C22H20N2O7S MW 456.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O7S/c1-3-30-17-11-13(5-10-16(17)25)12-18-20(26)19(22(27)31-4-2)21(32-18)23-14-6-8-15(9-7-14)24(28)29/h5-12,23,25H,3-4H2,1-2H3/b18-12-InChIKey
ZYPLGCUJYZMTDB-PDGQHHTCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=Cc2ccc(c(c2)OCC)O)C1=O
CCOC1=C(C=CC(=C1)C=C2C(=O)C(=C(S2)NC3=CC=C(C=C3)(N+)(=O)(O))C(=O)OCC)O
ETHYL(5Z)5((3ETHOXY4HYDROXYPHENYL)METHYLIDENE)2(4NITROANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(3ETHOXY4HYDROXYBENZYLIDENE)2((4NITROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC22H20N2O7Sc1330171113(51016(17)25)121820(26)19(22(27)3142)21(3218)23146815(9714)24(28)29h5122325H34H212H3b1812
MFCD02108159
STK091626
ZINC000008435594
ZINC08435594
ZINC8435594
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