Vitas-M small molecule compound
6-hydroxy-2-[(E)-2-(3-iodo-4,5-dimethoxyphenyl)ethenyl]-5-nitropyrimidin-4(3H)-one
Catalog ID
STK296528
SMILES COc1c(I)cc(cc1OC)/C=C/c1nc(O)c(c(=O)[nH]1)[N+](=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 C14H12IN3O6 MW 445.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12IN3O6/c1-23-9-6-7(5-8(15)12(9)24-2)3-4-10-16-13(19)11(18(21)22)14(20)17-10/h3-6H,1-2H3,(H2,16,17,19,20)/b4-3+InChIKey
WQJMZAAVYHESRT-ONEGZZNKSA-NSynonyms
4hydroxy2((E)2(3iodo45dimethoxyphenyl)ethenyl)5nitro1Hpyrimidin6one
6hydroxy2((E)2(3iodo45dimethoxyphenyl)ethenyl)5nitropyrimidin4(3H)one
COC1=C(C(=CC(=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)I)OC
COc1c(I)cc(cc1OC)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC14H12IN3O6c123967(58(15)12(9)242)34101613(19)11(18(21)22)14(20)1710h36H12H3(H216171920)b43+
MFCD09960653
ZINC000013955262
ZINC13955262
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