Vitas-M small molecule compound
ethyl 4-[({1-(4-methoxyphenyl)-5-oxo-2-thioxo-3-[4-(trifluoromethoxy)benzyl]imidazolidin-4-yl}acetyl)amino]benzoate
Catalog ID
STK114445
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CC1N(Cc2ccc(cc2)OC(F)(F)F)C(=S)N(C1=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 C29H26F3N3O6S MW 601.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26F3N3O6S/c1-3-40-27(38)19-6-8-20(9-7-19)33-25(36)16-24-26(37)35(21-10-14-22(39-2)15-11-21)28(42)34(24)17-18-4-12-23(13-5-18)41-29(30,31)32/h4-15,24H,3,16-17H2,1-2H3,(H,33,36)InChIKey
JGOQFBMXYRHCFW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=C(C=C3)OC(F)(F)F)C4=CC=C(C=C4)OC
ETHYL4(((1(4METHOXYPHENYL)5OXO2THIOXO3(4(TRIFLUOROMETHOXY)BENZYL)IMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
ETHYL4((2(1(4METHOXYPHENYL)5OXO2SULFANYLIDENE3((4(TRIFLUOROMETHOXY)PHENYL)METHYL)IMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
InChI=1SC29H26F3N3O6Sc134027(38)196820(9719)3325(36)162426(37)35(21101422(392)151121)28(42)34(24)171841223(13518)4129(3031)32h41524H31617H212H3(H3336)
MFCD03820426
ZINC000097995406
ZINC000097995407
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