Vitas-M small molecule compound

ethyl (5Z)-5-(4-fluoro-3-phenoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK158396
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(c(c2)Oc2ccccc2)F)/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 C26H20FNO4S MW 461.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20FNO4S/c1-2-31-26(30)23-24(29)22(33-25(23)28-18-9-5-3-6-10-18)16-17-13-14-20(27)21(15-17)32-19-11-7-4-8-12-19/h3-16,28H,2H2,1H3/b22-16-
InChIKey
GOWUCWJZRLJAKU-JWGURIENSA-N
Synonyms

CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(c(c2)Oc2ccccc2)F)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)F)OC3=CC=CC=C3)C1=O)NC4=CC=CC=C4
ETHYL(5Z)2ANILINO5((4FLUORO3PHENOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(4FLUORO3PHENOXYBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC26H20FNO4Sc123126(30)2324(29)22(3325(23)281895361018)1617131420(27)21(1517)3219117481219h31628H2H21H3b2216
MFCD03137190
ZINC000009721117
ZINC09721117
ZINC9721117

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Available files

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