Vitas-M small molecule compound
methyl {2-bromo-4-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]phenoxy}acetate
Catalog ID
STL367348
SMILES COC(=O)COc1ccc(cc1Br)/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 C15H12BrN3O7 MW 426.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12BrN3O7/c1-25-12(20)7-26-11-5-3-8(6-9(11)16)2-4-10-13(19(23)24)14(21)18-15(22)17-10/h2-6H,7H2,1H3,(H2,17,18,21,22)/b4-2+InChIKey
LWBXDOKQYAUHFF-DUXPYHPUSA-NSynonyms
COC(=O)COc1ccc(cc1Br)C=Cc1nc(O)nc(c1(N+)(=O)(O))O
InChI=1SC15H12BrN3O7c12512(20)72611538(69(11)16)241013(19(23)24)14(21)1815(22)1710h26H7H21H3(H217182122)b42+
methyl(2bromo4((E)2(26dihydroxy5nitropyrimidin4yl)ethenyl)phenoxy)acetate
METHYL2(2BROMO4((E)2(5NITRO24DIOXO1HPYRIMIDIN6YL)ETHENYL)PHENOXY)ACETATE
MFCD28951761
ZINC000009235200
ZINC9235200
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