Vitas-M small molecule compound

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

Catalog ID
STK158530
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C\c2cccc(c2)OCc2ccccc2)/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 C27H22ClNO4S MW 491.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClNO4S/c1-2-32-27(31)24-25(30)23(34-26(24)29-21-13-11-20(28)12-14-21)16-19-9-6-10-22(15-19)33-17-18-7-4-3-5-8-18/h3-16,29H,2,17H2,1H3/b23-16-
InChIKey
CZUJTRJRSBROFO-KQWNVCNZSA-N
Synonyms

CCOC(=O)C1=C(Nc2ccc(cc2)Cl)SC(=Cc2cccc(c2)OCc2ccccc2)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)OCC3=CC=CC=C3)C1=O)NC4=CC=C(C=C4)Cl
ETHYL(5Z)2(4CHLOROANILINO)4OXO5((3PHENYLMETHOXYPHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
ETHYL(5Z)5(3(BENZYLOXY)BENZYLIDENE)2((4CHLOROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC27H22ClNO4Sc123227(31)2425(30)23(3426(24)2921131120(28)121421)1619961022(1519)3317187435818h31629H217H21H3b2316
MFCD03139888
ZINC000006489663
ZINC06489663
ZINC6489663

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Available files

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