Vitas-M small molecule compound
2-{(E)-2-[2-methyl-4-(pyrrolidin-1-yl)phenyl]ethenyl}-5-nitropyrimidine-4,6-diol
Catalog ID
STL416116
SMILES Cc1cc(ccc1/C=C/c1nc(O)c(c(n1)O)[N+](=O)[O-])N1CCCC1
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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 C17H18N4O4 MW 342.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O4/c1-11-10-13(20-8-2-3-9-20)6-4-12(11)5-7-14-18-16(22)15(21(24)25)17(23)19-14/h4-7,10H,2-3,8-9H2,1H3,(H2,18,19,22,23)/b7-5+InChIKey
IPLQCVMJPLOMSB-FNORWQNLSA-NSynonyms
2((E)2(2methyl4(pyrrolidin1yl)phenyl)ethenyl)5nitropyrimidine46diol
4hydroxy2((E)2(2methyl4pyrrolidin1ylphenyl)ethenyl)5nitro1Hpyrimidin6one
Cc1cc(ccc1C=Cc1nc(O)c(c(n1)O)(N+)(=O)(O))N1CCCC1
InChI=1SC17H18N4O4c1111013(20823920)6412(11)57141816(22)15(21(24)25)17(23)1914h4710H2389H21H3(H218192223)b75+
MFCD30706976
ZINC000009295530
ZINC9295530
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