Vitas-M small molecule compound
ethyl (5Z)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK047547
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2cc(OC)c(c(c2)OC)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 C22H20N2O8S MW 472.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O8S/c1-4-32-22(27)18-20(26)17(11-12-9-15(30-2)19(25)16(10-12)31-3)33-21(18)23-13-5-7-14(8-6-13)24(28)29/h5-11,23,25H,4H2,1-3H3/b17-11-InChIKey
GRBRWCCHMNSHAX-BOPFTXTBSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=Cc2cc(OC)c(c(c2)OC)O)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=C(C(=C2)OC)O)OC)C1=O)NC3=CC=C(C=C3)(N+)(=O)(O)
ETHYL(5Z)5((4HYDROXY35DIMETHOXYPHENYL)METHYLIDENE)2(4NITROANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(4HYDROXY35DIMETHOXYBENZYLIDENE)2((4NITROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC22H20N2O8Sc143222(27)1820(26)17(1112915(302)19(25)16(1012)313)3321(18)23135714(8613)24(28)29h5112325H4H213H3b1711
MFCD03137277
STK047547
ZINC000009435157
ZINC09435157
ZINC9435157
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