Vitas-M small molecule compound
ethyl (5Z)-5-{4-[(2-cyanobenzyl)oxy]benzylidene}-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK056913
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2ccc(cc2)OCc2ccccc2C#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)31-23-12-8-19(2)9-13-23)16-20-10-14-24(15-11-20)35-18-22-7-5-4-6-21(22)17-30/h4-16,31H,3,18H2,1-2H3/b25-16-InChIKey
FNYOEMKKUGCUFZ-XYGWBWBKSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)C)SC(=Cc2ccc(cc2)OCc2ccccc2C#N)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)OCC3=CC=CC=C3C#N)C1=O)NC4=CC=C(C=C4)C
ETHYL(5Z)5((4((2CYANOPHENYL)METHOXY)PHENYL)METHYLIDENE)2(4METHYLANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(4((2CYANOBENZYL)OXY)BENZYLIDENE)2((4METHYLPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL5(4((2CYANOBENZYL)OXY)BENZYLIDENE)4OXO2(4TOLUIDINO)45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC29H24N2O4Sc133429(33)2627(32)25(3628(26)312312819(2)91323)1620101424(151120)351822754621(22)1730h41631H318H212H3b2516
MFCD02788005
STK056913
ZINC000008438466
ZINC08438466
ZINC8438466
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Check stock on Vitas-MAvailable files
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