Vitas-M small molecule compound
ethyl (5Z)-5-benzylidene-2-[(4-fluorophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK078122
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)F)S/C(=C\c2ccccc2)/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 C20H16FNO3S MW 369.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16FNO3S/c1-2-25-20(24)17-18(23)16(12-13-6-4-3-5-7-13)26-19(17)22-15-10-8-14(21)9-11-15/h3-12,22H,2H2,1H3/b16-12-InChIKey
HMDDLVFBXKPGEV-VBKFSLOCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)F)SC(=Cc2ccccc2)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=CC=C2)C1=O)NC3=CC=C(C=C3)F
ETHYL(5Z)5BENZYLIDENE2((4FLUOROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5BENZYLIDENE2(4FLUOROANILINO)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC20H16FNO3Sc122520(24)1718(23)16(12136435713)2619(17)221510814(21)91115h31222H2H21H3b1612
MFCD02212831
STK078122
ZINC000004670405
ZINC04670405
ZINC4670405
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