Vitas-M small molecule compound
2-{(E)-2-[3-chloro-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]ethenyl}-5-nitropyrimidine-4,6-diol
Catalog ID
STL416138
SMILES C=CCOc1c(Cl)cc(cc1OCC)/C=C/c1nc(O)c(c(n1)O)[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 C17H16ClN3O6 MW 393.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClN3O6/c1-3-7-27-15-11(18)8-10(9-12(15)26-4-2)5-6-13-19-16(22)14(21(24)25)17(23)20-13/h3,5-6,8-9H,1,4,7H2,2H3,(H2,19,20,22,23)/b6-5+InChIKey
ZBUDMRJWKMYGHJ-AATRIKPKSA-NSynonyms
2((E)2(3chloro5ethoxy4(prop2en1yloxy)phenyl)ethenyl)5nitropyrimidine46diol
2((E)2(3chloro5ethoxy4prop2enoxyphenyl)ethenyl)4hydroxy5nitro1Hpyrimidin6one
C=CCOc1c(Cl)cc(cc1OCC)C=Cc1nc(O)c(c(n1)O)(N+)(=O)(O)
InChI=1SC17H16ClN3O6c137271511(18)810(912(15)2642)56131916(22)14(21(24)25)17(23)2013h35689H147H22H3(H219202223)b65+
MFCD30706997
ZINC000009295585
ZINC9295585
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