Vitas-M small molecule compound
ethyl 6-{4-[benzyl(ethyl)amino]phenyl}-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
Catalog ID
STL091040
SMILES CCOC(=O)C1C(NC(=S)NC1(O)C(F)(F)F)c1ccc(cc1)N(Cc1ccccc1)CC
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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 C23H26F3N3O3S MW 481.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26F3N3O3S/c1-3-29(14-15-8-6-5-7-9-15)17-12-10-16(11-13-17)19-18(20(30)32-4-2)22(31,23(24,25)26)28-21(33)27-19/h5-13,18-19,31H,3-4,14H2,1-2H3,(H2,27,28,33)InChIKey
NSBZBUNSBUCZCD-UHFFFAOYSA-NSynonyms
CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C3C(C(NC(=S)N3)(C(F)(F)F)O)C(=O)OCC
ETHYL6(4(BENZYL(ETHYL)AMINO)PHENYL)4HYDROXY2SULFANYLIDENE4(TRIFLUOROMETHYL)13DIAZINANE5CARBOXYLATE
ethyl6(4(benzyl(ethyl)amino)phenyl)4hydroxy2thioxo4(trifluoromethyl)hexahydropyrimidine5carboxylate
InChI=1SC23H26F3N3O3Sc1329(14158657915)17121016(111317)1918(20(30)3242)22(3123(2425)26)2821(33)2719h513181931H3414H212H3(H2272833)
MFCD02730859
ZINC000000951770
ZINC000245391916
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