Vitas-M small molecule compound
ethyl (5Z)-5-(3,4-dimethoxybenzylidene)-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158388
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2ccc(c(c2)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 C22H20N2O7S MW 456.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O7S/c1-4-31-22(26)19-20(25)18(12-13-5-10-16(29-2)17(11-13)30-3)32-21(19)23-14-6-8-15(9-7-14)24(27)28/h5-12,23H,4H2,1-3H3/b18-12-InChIKey
WLYPZABBMZTLQN-PDGQHHTCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=Cc2ccc(c(c2)OC)OC)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)OC)OC)C1=O)NC3=CC=C(C=C3)(N+)(=O)(O)
ETHYL(5Z)5((34DIMETHOXYPHENYL)METHYLIDENE)2(4NITROANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(34DIMETHOXYBENZYLIDENE)2((4NITROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC22H20N2O7Sc143122(26)1920(25)18(121351016(292)17(1113)303)3221(19)23146815(9714)24(27)28h51223H4H213H3b1812
MFCD02214817
ZINC000009721114
ZINC09721114
ZINC9721114
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