Vitas-M small molecule compound
6-{(E)-2-[4-(butan-2-yloxy)-3-ethoxyphenyl]ethenyl}-5-nitropyrimidine-2,4-diol
Catalog ID
STL367345
SMILES CCOc1cc(ccc1OC(CC)C)/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 C18H21N3O6 MW 375.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O6/c1-4-11(3)27-14-9-7-12(10-15(14)26-5-2)6-8-13-16(21(24)25)17(22)20-18(23)19-13/h6-11H,4-5H2,1-3H3,(H2,19,20,22,23)/b8-6+InChIKey
DSADXIMEVUBUNH-SOFGYWHQSA-NSynonyms
6((E)2(4(butan2yloxy)3ethoxyphenyl)ethenyl)5nitropyrimidine24diol
6((E)2(4BUTAN2YLOXY3ETHOXYPHENYL)ETHENYL)5NITRO1HPYRIMIDINE24DIONE
CCOc1cc(ccc1OC(CC)C)C=Cc1nc(O)nc(c1(N+)(=O)(O))O
InChI=1SC18H21N3O6c1411(3)27149712(1015(14)2652)681316(21(24)25)17(22)2018(23)1913h611H45H213H3(H219202223)b86+
MFCD27966520
ZINC000009235162
ZINC000009235163
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