Vitas-M small molecule compound
4-{(E)-2-[2-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethenyl}-6-(trifluoromethyl)pyrimidin-2(1H)-one
Catalog ID
STK720221
SMILES C#CCOc1cc(Br)c(cc1OC)/C=C/c1nc(=O)[nH]c(c1)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 C17H12BrF3N2O3 MW 429.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12BrF3N2O3/c1-3-6-26-14-9-12(18)10(7-13(14)25-2)4-5-11-8-15(17(19,20)21)23-16(24)22-11/h1,4-5,7-9H,6H2,2H3,(H,22,23,24)/b5-4+InChIKey
WJTQMGJLANCMNF-SNAWJCMRSA-NSynonyms
4((E)2(2bromo5methoxy4(prop2yn1yloxy)phenyl)ethenyl)6(trifluoromethyl)pyrimidin2(1H)one
4((E)2(2BROMO5METHOXY4PROP2YNOXYPHENYL)ETHENYL)6(TRIFLUOROMETHYL)1HPYRIMIDIN2ONE
6((1E)2(2BROMO5METHOXY4PROP2YNYLOXYPHENYL)VINYL)4(TRIFLUOROMETHYL)3HYDROPYRIMIDIN2ONE
C#CCOc1cc(Br)c(cc1OC)C=Cc1nc(=O)(nH)c(c1)C(F)(F)F
COC1=C(C=C(C(=C1)C=CC2=NC(=O)NC(=C2)C(F)(F)F)Br)OCC#C
InChI=1SC17H12BrF3N2O3c1362614912(18)10(713(14)252)4511815(17(1920)21)2316(24)2211h14579H6H22H3(H222324)b54+
MFCD02951356
ZINC000008856085
ZINC08856085
ZINC8856085
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