Vitas-M small molecule compound

ethyl (5Z)-5-[2-(benzyloxy)benzylidene]-2-[(4-ethylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK050089
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)CC)S/C(=C\c2ccccc2OCc2ccccc2)/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 C29H27NO4S MW 485.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO4S/c1-3-20-14-16-23(17-15-20)30-28-26(29(32)33-4-2)27(31)25(35-28)18-22-12-8-9-13-24(22)34-19-21-10-6-5-7-11-21/h5-18,30H,3-4,19H2,1-2H3/b25-18-
InChIKey
YLQIBFKRKIQCDS-BWAHOGKJSA-N
Synonyms

CCC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=CC=CC=C3OCC4=CC=CC=C4)S2)C(=O)OCC
CCOC(=O)C1=C(Nc2ccc(cc2)CC)SC(=Cc2ccccc2OCc2ccccc2)C1=O
ETHYL(5Z)2(4ETHYLANILINO)4OXO5((2PHENYLMETHOXYPHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
ETHYL(5Z)5((2(BENZYLOXY)PHENYL)METHYLIDENE)2((4ETHYLPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(2(BENZYLOXY)BENZYLIDENE)2((4ETHYLPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL5(2(BENZYLOXY)BENZYLIDENE)2(4ETHYLANILINO)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC29H27NO4Sc1320141623(171520)302826(29(32)3342)27(31)25(3528)182212891324(22)341921106571121h51830H3419H212H3b2518
MFCD02637985
STK050089
ZINC000002975160
ZINC02975160
ZINC2975160

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.