Vitas-M small molecule compound
6-hydroxy-5-nitro-2-{(E)-2-[4-(trifluoromethyl)phenyl]ethenyl}pyrimidin-4(3H)-one
Catalog ID
STL358731
SMILES [O-][N+](=O)c1c(O)nc([nH]c1=O)/C=C/c1ccc(cc1)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 C13H8F3N3O4 MW 327.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8F3N3O4/c14-13(15,16)8-4-1-7(2-5-8)3-6-9-17-11(20)10(19(22)23)12(21)18-9/h1-6H,(H2,17,18,20,21)/b6-3+InChIKey
YTXWQXPRWHSMPO-ZZXKWVIFSA-NSynonyms
(O)(N+)(=O)c1c(O)nc((nH)c1=O)C=Cc1ccc(cc1)C(F)(F)F
2((1E)2(4(TRIFLUOROMETHYL)PHENYL)VINYL)6HYDROXY5NITRO3HYDROPYRIMIDIN4ONE
4HYDROXY5NITRO2((E)2(4(TRIFLUOROMETHYL)PHENYL)ETHENYL)1HPYRIMIDIN6ONE
6hydroxy5nitro2((E)2(4(trifluoromethyl)phenyl)ethenyl)pyrimidin4(3H)one
6HYDROXY5NITRO2((E)2(4TRIFLUOROMETHYLPHENYL)VINYL)3HPYRIMIDIN4ONE
C1=CC(=CC=C1C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)C(F)(F)F
InChI=1SC13H8F3N3O4c1413(1516)8417(258)3691711(20)10(19(22)23)12(21)189h16H(H217182021)b63+
MFCD06010607
ZINC000009010352
ZINC9010352
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