Vitas-M small molecule compound
6-[(E)-2-(3-nitrophenyl)ethenyl]-4-(trifluoromethyl)pyrimidin-2(1H)-one
Catalog ID
STL380089
SMILES O=c1[nH]c(/C=C/c2cccc(c2)[N+](=O)[O-])cc(n1)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 C13H8F3N3O3 MW 311.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8F3N3O3/c14-13(15,16)11-7-9(17-12(20)18-11)5-4-8-2-1-3-10(6-8)19(21)22/h1-7H,(H,17,18,20)/b5-4+InChIKey
DIYKTWLKEVSNET-SNAWJCMRSA-NSynonyms
4((E)2(3NITROPHENYL)ETHENYL)6(TRIFLUOROMETHYL)1HPYRIMIDIN2ONE
6((1E)2(3NITROPHENYL)VINYL)4(TRIFLUOROMETHYL)3HYDROPYRIMIDIN2ONE
6((E)2(3nitrophenyl)ethenyl)4(trifluoromethyl)pyrimidin2(1H)one
C1=CC(=CC(=C1)(N+)(=O)(O))C=CC2=NC(=O)NC(=C2)C(F)(F)F
InChI=1SC13H8F3N3O3c1413(1516)1179(1712(20)1811)54821310(68)19(21)22h17H(H171820)b54+
MFCD05041885
O=c1(nH)c(C=Cc2cccc(c2)(N+)(=O)(O))cc(n1)C(F)(F)F
ZINC000006953683
ZINC6953683
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