Vitas-M small molecule compound
ethyl (5Z)-2-{[(4-tert-butylphenyl)carbonyl]amino}-5-(4-fluorobenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK093568
SMILES CCOC(=O)C1=C(NC(=O)c2ccc(cc2)C(C)(C)C)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 C25H24FNO4S MW 453.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24FNO4S/c1-5-31-24(30)20-21(28)19(14-15-6-12-18(26)13-7-15)32-23(20)27-22(29)16-8-10-17(11-9-16)25(2,3)4/h6-14H,5H2,1-4H3,(H,27,29)/b19-14-InChIKey
QTOHBDZJBUTOLF-RGEXLXHISA-NSynonyms
CCOC(=O)C1=C(NC(=O)c2ccc(cc2)C(C)(C)C)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)C(C)(C)C
ETHYL(5Z)2(((4TERTBUTYLPHENYL)CARBONYL)AMINO)5(4FLUOROBENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2((4TERTBUTYLBENZOYL)AMINO)5((4FLUOROPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC25H24FNO4Sc153124(30)2021(28)19(141561218(26)13715)3223(20)2722(29)1681017(11916)25(23)4h614H5H214H3(H2729)b1914
MFCD04086813
STK093568
ZINC000009296145
ZINC09296145
ZINC9296145
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