Vitas-M small molecule compound
ethyl (5E)-5-(4-fluorobenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK016780
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(cc2)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 C20H16FNO3S MW 369.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16FNO3S/c1-2-25-20(24)17-18(23)16(12-13-8-10-14(21)11-9-13)26-19(17)22-15-6-4-3-5-7-15/h3-12,22H,2H2,1H3/b16-12+InChIKey
ZAQVCMBJJGFCKH-FOWTUZBSSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(cc2)F)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)F)C1=O)NC3=CC=CC=C3
ETHYL(5E)2ANILINO5((4FLUOROPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5E)5(4FLUOROBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC20H16FNO3Sc122520(24)1718(23)16(121381014(21)11913)2619(17)22156435715h31222H2H21H3b1612+
MFCD08049656
STK016780
ZINC000001211863
ZINC01211863
ZINC1211863
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