Vitas-M small molecule compound
5-acetyl-4-hydroxy-6-(4-hydroxy-3-nitrophenyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
Catalog ID
STL090856
SMILES O=C1NC(c2ccc(c(c2)[N+](=O)[O-])O)C(C(N1)(O)C(F)(F)F)C(=O)C
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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 C13H12F3N3O6 MW 363.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12F3N3O6/c1-5(20)9-10(6-2-3-8(21)7(4-6)19(24)25)17-11(22)18-12(9,23)13(14,15)16/h2-4,9-10,21,23H,1H3,(H2,17,18,22)InChIKey
NOUGBGSAULFXJN-UHFFFAOYSA-NSynonyms
5acetyl4hydroxy6(4hydroxy3nitrophenyl)4(trifluoromethyl)13diazinan2one
5acetyl4hydroxy6(4hydroxy3nitrophenyl)4(trifluoromethyl)tetrahydropyrimidin2(1H)one
CC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC(=C(C=C2)O)(N+)(=O)(O)
InChI=1SC13H12F3N3O6c15(20)910(6238(21)7(46)19(24)25)1711(22)1812(923)13(1415)16h249102123H1H3(H2171822)
MFCD18204565
O=C1NC(c2ccc(c(c2)(N+)(=O)(O))O)C(C(N1)(O)C(F)(F)F)C(=O)C
ZINC000057531213
ZINC000226354843
Check stock
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