Vitas-M small molecule compound

ethyl (5E)-2-[(3-chlorophenyl)amino]-4-oxo-5-(3-phenoxybenzylidene)-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK036555
SMILES CCOC(=O)C1=C(Nc2cccc(c2)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)28-19-10-7-9-18(27)16-19)15-17-8-6-13-21(14-17)32-20-11-4-3-5-12-20/h3-16,28H,2H2,1H3/b22-15+
InChIKey
FVTGYWXRXWBJCS-PXLXIMEGSA-N
Synonyms

CCOC(=O)C1=C(Nc2cccc(c2)Cl)SC(=Cc2cccc(c2)Oc2ccccc2)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)OC3=CC=CC=C3)C1=O)NC4=CC(=CC=C4)Cl
ETHYL(5E)2((3CHLOROPHENYL)AMINO)4OXO5(3PHENOXYBENZYLIDENE)45DIHYDROTHIOPHENE3CARBOXYLATE
ethyl(5E)2(3chloroanilino)4oxo5((3phenoxyphenyl)methylidene)thiophene3carboxylate
InChI=1SC26H20ClNO4Sc123126(30)2324(29)22(3325(23)2819107918(27)1619)1517861321(1417)3220114351220h31628H2H21H3b2215+
MFCD08050495
STK036555
ZINC000009280130
ZINC09280130
ZINC9280130

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Available files

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