Vitas-M small molecule compound
4-[5-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzonitrile
Catalog ID
STL090854
SMILES N#Cc1ccc(cc1)C1NC(=O)NC(C1C(=O)C)(O)C(F)(F)F
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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 C14H12F3N3O3 MW 327.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12F3N3O3/c1-7(21)10-11(9-4-2-8(6-18)3-5-9)19-12(22)20-13(10,23)14(15,16)17/h2-5,10-11,23H,1H3,(H2,19,20,22)InChIKey
SEXUTSYPLWBXMO-UHFFFAOYSA-NSynonyms
4(5ACETYL6HYDROXY2OXO6(TRIFLUOROMETHYL)13DIAZINAN4YL)BENZONITRILE
4(5acetyl6hydroxy2oxo6(trifluoromethyl)hexahydropyrimidin4yl)benzonitrile
CC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=C(C=C2)C#N
InChI=1SC14H12F3N3O3c17(21)1011(9428(618)359)1912(22)2013(1023)14(1516)17h25101123H1H3(H2192022)
MFCD03132949
ZINC000004387641
ZINC000011859550
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