Vitas-M small molecule compound
ethyl (5Z)-5-{4-[(3-fluorobenzyl)oxy]benzylidene}-2-{[(2-methylphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL380540
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc(cc2)OCc2cccc(c2)F)/C1=O)NC(=O)c1ccccc1C
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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 C29H24FNO5S MW 517.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24FNO5S/c1-3-35-29(34)25-26(32)24(37-28(25)31-27(33)23-10-5-4-7-18(23)2)16-19-11-13-22(14-12-19)36-17-20-8-6-9-21(30)15-20/h4-16H,3,17H2,1-2H3,(H,31,33)/b24-16-InChIKey
RLBQPKHSPCFVSV-JLPGSUDCSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)OCC3=CC(=CC=C3)F)C1=O)NC(=O)C4=CC=CC=C4C
CCOC(=O)C1=C(SC(=Cc2ccc(cc2)OCc2cccc(c2)F)C1=O)NC(=O)c1ccccc1C
ETHYL(5Z)5((4((3FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)2((2METHYLBENZOYL)AMINO)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(4((3fluorobenzyl)oxy)benzylidene)2(((2methylphenyl)carbonyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL5(4((3FLUOROBENZYL)OXY)BENZYLIDENE)2((2METHYLBENZOYL)AMINO)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC29H24FNO5Sc133529(34)2526(32)24(3728(25)3127(33)231054718(23)2)1619111322(141219)36172086921(30)1520h416H317H212H3(H3133)b2416
MFCD03838077
ZINC000008396229
ZINC08396229
ZINC8396229
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.