Vitas-M small molecule compound
ethyl 3-[({1-[4-(ethoxycarbonyl)phenyl]-5-oxo-3-(pyridin-2-ylmethyl)-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
Catalog ID
STK684419
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)C(N(C1=S)Cc1ccccn1)CC(=O)Nc1cccc(c1)C(=O)OCC
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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 C29H28N4O6S MW 560.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O6S/c1-3-38-27(36)19-11-13-23(14-12-19)33-26(35)24(32(29(33)40)18-22-9-5-6-15-30-22)17-25(34)31-21-10-7-8-20(16-21)28(37)39-4-2/h5-16,24H,3-4,17-18H2,1-2H3,(H,31,34)InChIKey
GMFDWDHAGSVXEP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC3=CC=CC=N3)CC(=O)NC4=CC=CC(=C4)C(=O)OCCETHYL3(((1(4(ETHOXYCARBONYL)PHENYL)5OXO3(PYRIDIN2YLMETHYL)2THIOXOIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
ETHYL3((2(1(4ETHOXYCARBONYLPHENYL)5OXO3(PYRIDIN2YLMETHYL)2SULFANYLIDENEIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
Registry IDs
MFCD05854431ZINC000004762349
ZINC000004762353
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