Vitas-M small molecule compound
ethyl (5Z)-5-(4-fluorobenzylidene)-2-{[(4-methoxyphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK699312
SMILES CCOC(=O)C1=C(NC(=O)c2ccc(cc2)OC)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 C22H18FNO5S MW 427.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18FNO5S/c1-3-29-22(27)18-19(25)17(12-13-4-8-15(23)9-5-13)30-21(18)24-20(26)14-6-10-16(28-2)11-7-14/h4-12H,3H2,1-2H3,(H,24,26)/b17-12-InChIKey
YUWAKQAHKBLAOH-ATVHPVEESA-NSynonyms
CCOC(=O)C1=C(NC(=O)c2ccc(cc2)OC)SC(=Cc2ccc(cc2)F)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)F)C1=O)NC(=O)C3=CC=C(C=C3)OC
ETHYL(5Z)5((4FLUOROPHENYL)METHYLIDENE)2((4METHOXYBENZOYL)AMINO)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(4fluorobenzylidene)2(((4methoxyphenyl)carbonyl)amino)4oxo45dihydrothiophene3carboxylate
InChI=1SC22H18FNO5Sc132922(27)1819(25)17(12134815(23)9513)3021(18)2420(26)1461016(282)11714h412H3H212H3(H2426)b1712
MFCD03721766
ZINC000008892182
ZINC08892182
ZINC8892182
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