Vitas-M small molecule compound
ethyl 4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-3-[4-(2-oxopyrrolidin-1-yl)benzyl]-2-thioxoimidazolidin-1-yl)benzoate
Catalog ID
STK112869
SMILES CCOC(=O)c1ccc(cc1)N1C(=S)N(C(C1=O)CC(=O)Nc1ccc(cc1)F)Cc1ccc(cc1)N1CCCC1=O
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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 C31H29FN4O5S MW 588.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29FN4O5S/c1-2-41-30(40)21-7-15-25(16-8-21)36-29(39)26(18-27(37)33-23-11-9-22(32)10-12-23)35(31(36)42)19-20-5-13-24(14-6-20)34-17-3-4-28(34)38/h5-16,26H,2-4,17-19H2,1H3,(H,33,37)InChIKey
FIKLYVGOKAUVSO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC3=CC=C(C=C3)N4CCCC4=O)CC(=O)NC5=CC=C(C=C5)F
ETHYL4(4(2((4FLUOROPHENYL)AMINO)2OXOETHYL)5OXO3(4(2OXOPYRROLIDIN1YL)BENZYL)2THIOXOIMIDAZOLIDIN1YL)BENZOATE
ETHYL4(4(2(4FLUOROANILINO)2OXOETHYL)5OXO3((4(2OXOPYRROLIDIN1YL)PHENYL)METHYL)2SULFANYLIDENEIMIDAZOLIDIN1YL)BENZOATE
InChI=1SC31H29FN4O5Sc124130(40)2171525(16821)3629(39)26(1827(37)332311922(32)101223)35(31(36)42)192051324(14620)34173428(34)38h51626H241719H21H3(H3337)
MFCD03768702
ZINC000033354973
ZINC000033354974
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