Vitas-M small molecule compound
ethyl (5Z)-5-{3-chloro-4-[(2,4-dichlorobenzyl)oxy]benzylidene}-2-{[(4-methoxyphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL380535
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc(c(c2)Cl)OCc2ccc(cc2Cl)Cl)/C1=O)NC(=O)c1ccc(cc1)OC
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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 C29H22Cl3NO6S MW 618.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22Cl3NO6S/c1-3-38-29(36)25-26(34)24(40-28(25)33-27(35)17-6-9-20(37-2)10-7-17)13-16-4-11-23(22(32)12-16)39-15-18-5-8-19(30)14-21(18)31/h4-14H,3,15H2,1-2H3,(H,33,35)/b24-13-InChIKey
FMHUSMGHWDRDFX-CFRMEGHHSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl)Cl)C1=O)NC(=O)C4=CC=C(C=C4)OC
CCOC(=O)C1=C(SC(=Cc2ccc(c(c2)Cl)OCc2ccc(cc2Cl)Cl)C1=O)NC(=O)c1ccc(cc1)OC
ETHYL(5Z)5((3CHLORO4((24DICHLOROPHENYL)METHOXY)PHENYL)METHYLIDENE)2((4METHOXYBENZOYL)AMINO)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(3chloro4((24dichlorobenzyl)oxy)benzylidene)2(((4methoxyphenyl)carbonyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL5(3CHLORO4((24DICHLOROBENZYL)OXY)BENZYLIDENE)2((4METHOXYBENZOYL)AMINO)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC29H22Cl3NO6Sc133829(36)2526(34)24(4028(25)3327(35)176920(372)10717)131641123(22(32)1216)3915185819(30)1421(18)31h414H315H212H3(H3335)b2413
MFCD03785049
ZINC000008400744
ZINC08400744
ZINC8400744
Check stock
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Check stock on Vitas-MAvailable files
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