Vitas-M small molecule compound
4-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)pyrimidin-2(1H)-one
Catalog ID
STK763548
SMILES O=c1nc(/C=C/c2cc3OCOc3cc2Br)cc([nH]1)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 C14H8BrF3N2O3 MW 389.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H8BrF3N2O3/c15-9-5-11-10(22-6-23-11)3-7(9)1-2-8-4-12(14(16,17)18)20-13(21)19-8/h1-5H,6H2,(H,19,20,21)/b2-1+InChIKey
VZRFWJSHEPJDCF-OWOJBTEDSA-NSynonyms
5380-59-64((1E)2(6BROMO(2HBENZO(D)13DIOXOLAN5YL))VINYL)6(TRIFLUOROMETHYL)3HYDROPYRIMIDIN2ONE
4((E)2(6BROMO13BENZODIOXOL5YL)ETHENYL)6(TRIFLUOROMETHYL)1HPYRIMIDIN2ONE
4((E)2(6bromo13benzodioxol5yl)ethenyl)6(trifluoromethyl)pyrimidin2(1H)one
5380596
C1OC2=C(O1)C=C(C(=C2)C=CC3=NC(=O)NC(=C3)C(F)(F)F)Br
InChI=1SC14H8BrF3N2O3c15951110(2262311)37(9)128412(14(1617)18)2013(21)198h15H6H2(H192021)b21+
MFCD02642588
O=c1nc(C=Cc2cc3OCOc3cc2Br)cc((nH)1)C(F)(F)F
ZINC000004494715
ZINC4494715
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