Vitas-M small molecule compound
4-[5-(ethoxycarbonyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzoic acid
Catalog ID
STL090886
SMILES CCOC(=O)C1C(NC(=O)NC1(O)C(F)(F)F)c1ccc(cc1)C(=O)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 C15H15F3N2O6 MW 376.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15F3N2O6/c1-2-26-12(23)9-10(7-3-5-8(6-4-7)11(21)22)19-13(24)20-14(9,25)15(16,17)18/h3-6,9-10,25H,2H2,1H3,(H,21,22)(H2,19,20,24)InChIKey
NSYSPZQPINRYSS-UHFFFAOYSA-NSynonyms
376351-95-0376351950
4((4S5R6S)5(ETHOXYCARBONYL)6HYDROXY2OXO6(TRIFLUOROMETHYL)HEXAHYDROPYRIMIDIN4YL)BENZOICACID
4(5(ethoxycarbonyl)6hydroxy2oxo6(trifluoromethyl)hexahydropyrimidin4yl)benzoicacid
4(5ETHOXYCARBONYL6HYDROXY2OXO6(TRIFLUOROMETHYL)13DIAZINAN4YL)BENZOICACID
CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=C(C=C2)C(=O)O
InChI=1SC15H15F3N2O6c122612(23)910(7358(647)11(21)22)1913(24)2014(925)15(1617)18h3691025H2H21H3(H2122)(H2192024)
MFCD02167732
ZINC000002701364
ZINC000013144780
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