Vitas-M small molecule compound
4-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]-2,6-dimethoxyphenyl acetate
Catalog ID
STL367365
SMILES COc1cc(/C=C/c2nc(O)nc(c2[N+](=O)[O-])O)cc(c1OC(=O)C)OC
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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 C16H15N3O8 MW 377.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O8/c1-8(20)27-14-11(25-2)6-9(7-12(14)26-3)4-5-10-13(19(23)24)15(21)18-16(22)17-10/h4-7H,1-3H3,(H2,17,18,21,22)/b5-4+InChIKey
CZYAFEVUNRCEGU-SNAWJCMRSA-NSynonyms
(26DIMETHOXY4((E)2(5NITRO24DIOXO1HPYRIMIDIN6YL)ETHENYL)PHENYL)ACETATE
4((E)2(26dihydroxy5nitropyrimidin4yl)ethenyl)26dimethoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1OC)C=CC2=C(C(=O)NC(=O)N2)(N+)(=O)(O))OC
COc1cc(C=Cc2nc(O)nc(c2(N+)(=O)(O))O)cc(c1OC(=O)C)OC
InChI=1SC16H15N3O8c18(20)271411(252)69(712(14)263)451013(19(23)24)15(21)1816(22)1710h47H13H3(H217182122)b54+
MFCD28951776
ZINC000012379972
ZINC12379972
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