Vitas-M small molecule compound
ethyl (5Z)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158479
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)C)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 C23H23NO6S MW 441.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO6S/c1-5-30-23(27)19-21(26)18(31-22(19)24-15-8-6-13(2)7-9-15)12-14-10-16(28-3)20(25)17(11-14)29-4/h6-12,24-25H,5H2,1-4H3/b18-12-InChIKey
LAUSUFRNZIVASW-PDGQHHTCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)C)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)C
ETHYL(5Z)5((4HYDROXY35DIMETHOXYPHENYL)METHYLIDENE)2(4METHYLANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(4HYDROXY35DIMETHOXYBENZYLIDENE)2((4METHYLPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC23H23NO6Sc153023(27)1921(26)18(3122(19)24158613(2)7915)12141016(283)20(25)17(1114)294h6122425H5H214H3b1812
MFCD08680008
ZINC000009721128
ZINC09721128
ZINC9721128
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