Vitas-M small molecule compound
ethyl (5Z)-5-{2-[(2-cyanobenzyl)oxy]benzylidene}-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374713
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2ccccc2OCc2ccccc2C#N)/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 C29H24N2O4S MW 496.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O4S/c1-3-34-29(33)26-27(32)25(36-28(26)31-23-14-12-19(2)13-15-23)16-20-8-6-7-11-24(20)35-18-22-10-5-4-9-21(22)17-30/h4-16,31H,3,18H2,1-2H3/b25-16-InChIKey
WGXABTYSVYHHNP-XYGWBWBKSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)C)SC(=Cc2ccccc2OCc2ccccc2C#N)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=CC=C2OCC3=CC=CC=C3C#N)C1=O)NC4=CC=C(C=C4)C
ETHYL(5Z)5((2((2CYANOPHENYL)METHOXY)PHENYL)METHYLIDENE)2(4METHYLANILINO)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(2((2cyanobenzyl)oxy)benzylidene)2((4methylphenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL5(2((2CYANOBENZYL)OXY)BENZYLIDENE)4OXO2(4TOLUIDINO)45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC29H24N2O4Sc133429(33)2627(32)25(3628(26)3123141219(2)131523)16208671124(20)3518221054921(22)1730h41631H318H212H3b2516
MFCD02800516
ZINC000008438467
ZINC08438467
ZINC8438467
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