Vitas-M small molecule compound
ethyl 4-[3-(4-fluorobenzyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate
Catalog ID
STK113072
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)C(N(C1=S)Cc1ccc(cc1)F)CC(=O)Nc1ccc(cc1)F
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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 C27H23F2N3O4S MW 523.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23F2N3O4S/c1-2-36-26(35)18-5-13-22(14-6-18)32-25(34)23(15-24(33)30-21-11-9-20(29)10-12-21)31(27(32)37)16-17-3-7-19(28)8-4-17/h3-14,23H,2,15-16H2,1H3,(H,30,33)InChIKey
MOFLDQXSMFSSEC-UHFFFAOYSA-NSynonyms
1023939-08-31023939083
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC3=CC=C(C=C3)F)CC(=O)NC4=CC=C(C=C4)F
ETHYL4(3(4FLUOROBENZYL)4(2((4FLUOROPHENYL)AMINO)2OXOETHYL)5OXO2THIOXOIMIDAZOLIDIN1YL)BENZOATE
ETHYL4(4(2(4FLUOROANILINO)2OXOETHYL)3((4FLUOROPHENYL)METHYL)5OXO2SULFANYLIDENEIMIDAZOLIDIN1YL)BENZOATE
InChI=1SC27H23F2N3O4Sc123626(35)1851322(14618)3225(34)23(1524(33)302111920(29)101221)31(27(32)37)16173719(28)8417h31423H21516H21H3(H3033)
MFCD02142254
ZINC000097955774
ZINC000097955775
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