Vitas-M small molecule compound
6-[(E)-2-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}ethenyl]-5-nitropyrimidine-2,4-diol
Catalog ID
STL367299
SMILES COc1cc(ccc1OCc1ccc(cc1)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 C21H19N3O6 MW 409.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O6/c1-13-3-5-15(6-4-13)12-30-17-10-8-14(11-18(17)29-2)7-9-16-19(24(27)28)20(25)23-21(26)22-16/h3-11H,12H2,1-2H3,(H2,22,23,25,26)/b9-7+InChIKey
OJTCGXRVFGFCTD-VQHVLOKHSA-NSynonyms
6((E)2(3methoxy4((4methylbenzyl)oxy)phenyl)ethenyl)5nitropyrimidine24diol
6((E)2(3METHOXY4((4METHYLPHENYL)METHOXY)PHENYL)ETHENYL)5NITRO1HPYRIMIDINE24DIONE
COc1cc(ccc1OCc1ccc(cc1)C)C=Cc1nc(O)nc(c1(N+)(=O)(O))O
InChI=1SC21H19N3O6c1133515(6413)12301710814(1118(17)292)791619(24(27)28)20(25)2321(26)2216h311H12H212H3(H222232526)b97+
MFCD28951726
ZINC000015009212
ZINC15009212
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