Vitas-M small molecule compound
ethyl (5E)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK087326
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OC)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 C23H23NO7S MW 457.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO7S/c1-5-31-23(27)19-21(26)18(12-13-10-16(29-3)20(25)17(11-13)30-4)32-22(19)24-14-6-8-15(28-2)9-7-14/h6-12,24-25H,5H2,1-4H3/b18-12+InChIKey
JZBMBKNHMQGWKG-LDADJPATSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)OC)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)OC
ETHYL(5E)5((4HYDROXY35DIMETHOXYPHENYL)METHYLIDENE)2(4METHOXYANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5E)5(4HYDROXY35DIMETHOXYBENZYLIDENE)2((4METHOXYPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC23H23NO7Sc153123(27)1921(26)18(12131016(293)20(25)17(1113)304)3222(19)24146815(282)9714h6122425H5H214H3b1812+
MFCD08679384
STK087326
ZINC000001138610
ZINC01138610
ZINC1138610
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