Vitas-M small molecule compound
methyl {5-bromo-4-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]-2-methoxyphenoxy}acetate
Catalog ID
STL367359
SMILES COC(=O)COc1cc(Br)c(cc1OC)/C=C/c1nc(O)nc(c1[N+](=O)[O-])O
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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 C16H14BrN3O8 MW 456.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrN3O8/c1-26-11-5-8(9(17)6-12(11)28-7-13(21)27-2)3-4-10-14(20(24)25)15(22)19-16(23)18-10/h3-6H,7H2,1-2H3,(H2,18,19,22,23)/b4-3+InChIKey
AVPSQCAUDZYSJW-ONEGZZNKSA-NSynonyms
COC(=O)COc1cc(Br)c(cc1OC)C=Cc1nc(O)nc(c1(N+)(=O)(O))O
InChI=1SC16H14BrN3O8c1261158(9(17)612(11)28713(21)272)341014(20(24)25)15(22)1916(23)1810h36H7H212H3(H218192223)b43+
methyl(5bromo4((E)2(26dihydroxy5nitropyrimidin4yl)ethenyl)2methoxyphenoxy)acetate
METHYL2(5BROMO2METHOXY4((E)2(5NITRO24DIOXO1HPYRIMIDIN6YL)ETHENYL)PHENOXY)ACETATE
MFCD28951772
ZINC000009235313
ZINC9235313
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