Vitas-M small molecule compound
ethyl (5Z)-2-[(3-chlorophenyl)amino]-5-(4-hydroxy-3,5-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158485
SMILES CCOC(=O)C1=C(Nc2cccc(c2)Cl)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 C22H20ClNO6S MW 461.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClNO6S/c1-4-30-22(27)18-20(26)17(31-21(18)24-14-7-5-6-13(23)11-14)10-12-8-15(28-2)19(25)16(9-12)29-3/h5-11,24-25H,4H2,1-3H3/b17-10-InChIKey
RYTYCYJUNBVKME-YVLHZVERSA-NSynonyms
CCOC(=O)C1=C(Nc2cccc(c2)Cl)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(=CC=C3)Cl
ETHYL(5Z)2((3CHLOROPHENYL)AMINO)5(4HYDROXY35DIMETHOXYBENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(3CHLOROANILINO)5((4HYDROXY35DIMETHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC22H20ClNO6Sc143022(27)1820(26)17(3121(18)241475613(23)1114)1012815(282)19(25)16(912)293h5112425H4H213H3b1710
MFCD08680012
ZINC000101647585
ZINC101647585
ZINC14008894
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