Vitas-M small molecule compound

5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one

Catalog ID
STL090855
SMILES O=C1NC(c2cc(ccc2O)[N+](=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(7-4-6(19(24)25)2-3-8(7)21)17-11(22)18-12(9,23)13(14,15)16/h2-4,9-10,21,23H,1H3,(H2,17,18,22)
InChIKey
WTHPTSFYYHZJHZ-UHFFFAOYSA-N
Synonyms
1005264-46-9
1005264469
5ACETYL4HYDROXY6(2HYDROXY5NITROPHENYL)4(TRIFLUOROMETHYL)13DIAZINAN2ONE
5acetyl4hydroxy6(2hydroxy5nitrophenyl)4(trifluoromethyl)tetrahydropyrimidin2(1H)one
CC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=C(C=CC(=C2)(N+)(=O)(O))O
InChI=1SC13H12F3N3O6c15(20)910(746(19(24)25)238(7)21)1711(22)1812(923)13(1415)16h249102123H1H3(H2171822)
MFCD03447770
O=C1NC(c2cc(ccc2O)(N+)(=O)(O))C(C(N1)(O)C(F)(F)F)C(=O)C
ZINC000012377534
ZINC000036056791

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Available files

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