Vitas-M small molecule compound
ethyl (5Z)-2-[(4-chlorophenyl)amino]-4-oxo-5-(3-phenoxybenzylidene)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK036378
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C\c2cccc(c2)Oc2ccccc2)/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 C26H20ClNO4S MW 477.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClNO4S/c1-2-31-26(30)23-24(29)22(33-25(23)28-19-13-11-18(27)12-14-19)16-17-7-6-10-21(15-17)32-20-8-4-3-5-9-20/h3-16,28H,2H2,1H3/b22-16-InChIKey
ZEKFZXCGUVQGPE-JWGURIENSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)Cl)SC(=Cc2cccc(c2)Oc2ccccc2)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)OC3=CC=CC=C3)C1=O)NC4=CC=C(C=C4)Cl
ETHYL(5Z)2((4CHLOROPHENYL)AMINO)4OXO5(3PHENOXYBENZYLIDENE)45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(4CHLOROANILINO)4OXO5((3PHENOXYPHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
InChI=1SC26H20ClNO4Sc123126(30)2324(29)22(3325(23)2819131118(27)121419)1617761021(1517)32208435920h31628H2H21H3b2216
MFCD08050485
STK036378
ZINC000009280113
ZINC09280113
ZINC9280113
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