Vitas-M small molecule compound
ethyl (5Z)-5-{3-chloro-4-[(4-fluorobenzyl)oxy]benzylidene}-4-oxo-2-[(phenylcarbonyl)amino]-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK667182
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc(c(c2)Cl)OCc2ccc(cc2)F)/C1=O)NC(=O)c1ccccc1
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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 C28H21ClFNO5S MW 538.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClFNO5S/c1-2-35-28(34)24-25(32)23(37-27(24)31-26(33)19-6-4-3-5-7-19)15-18-10-13-22(21(29)14-18)36-16-17-8-11-20(30)12-9-17/h3-15H,2,16H2,1H3,(H,31,33)/b23-15-InChIKey
NSOAVZRCCLGUQM-HAHDFKILSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)F)Cl)C1=O)NC(=O)C4=CC=CC=C4
CCOC(=O)C1=C(SC(=Cc2ccc(c(c2)Cl)OCc2ccc(cc2)F)C1=O)NC(=O)c1ccccc1
ETHYL(5Z)2BENZAMIDO5((3CHLORO4((4FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(3chloro4((4fluorobenzyl)oxy)benzylidene)4oxo2((phenylcarbonyl)amino)45dihydrothiophene3carboxylate
ETHYL2(BENZOYLAMINO)5(3CHLORO4((4FLUOROBENZYL)OXY)BENZYLIDENE)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC28H21ClFNO5Sc123528(34)2425(32)23(3727(24)3126(33)196435719)1518101322(21(29)1418)36161781120(30)12917h315H216H21H3(H3133)b2315
MFCD03783982
ZINC000008396233
ZINC08396233
ZINC8396233
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.