Vitas-M small molecule compound
ethyl 6-(1,3-diphenyl-1H-pyrazol-4-yl)-4-hydroxy-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
Catalog ID
STL090896
SMILES CCOC(=O)C1C(NC(=O)NC1(O)C(F)(F)F)c1cn(nc1c1ccccc1)c1ccccc1
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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 C23H21F3N4O4 MW 474.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21F3N4O4/c1-2-34-20(31)17-19(27-21(32)28-22(17,33)23(24,25)26)16-13-30(15-11-7-4-8-12-15)29-18(16)14-9-5-3-6-10-14/h3-13,17,19,33H,2H2,1H3,(H2,27,28,32)InChIKey
CAQJWISJKQZUQM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4
ETHYL(4R5R6S)6(13DIPHENYL1HPYRAZOL4YL)4HYDROXY2OXO4(TRIFLUOROMETHYL)HEXAHYDROPYRIMIDINE5CARBOXYLATE
ethyl6(13diphenyl1Hpyrazol4yl)4hydroxy2oxo4(trifluoromethyl)hexahydropyrimidine5carboxylate
ETHYL6(13DIPHENYLPYRAZOL4YL)4HYDROXY2OXO4(TRIFLUOROMETHYL)13DIAZINANE5CARBOXYLATE
InChI=1SC23H21F3N4O4c123420(31)1719(2721(32)2822(1733)23(2425)26)161330(15117481215)2918(16)1495361014h313171933H2H21H3(H2272832)
MFCD02730582
ZINC000000951711
ZINC000011859190
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