Vitas-M small molecule compound
4-{(E)-[2-(1-benzyl-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)hydrazinylidene]methyl}-2-methoxyphenolate
Catalog ID
STL149229
SMILES COc1cc(/C=N/Nc2[nH+]c3c(n2C)c(=O)n(c(=O)n3C)Cc2ccccc2)ccc1[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 C22H22N6O4 MW 434.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O4/c1-26-18-19(24-21(26)25-23-12-15-9-10-16(29)17(11-15)32-3)27(2)22(31)28(20(18)30)13-14-7-5-4-6-8-14/h4-12,29H,13H2,1-3H3,(H,24,25)/b23-12+InChIKey
BKJBRXXYDQEMLA-FSJBWODESA-NSynonyms
4((E)(2(1benzyl37dimethyl26dioxo2367tetrahydro1Hpurin9ium8yl)hydrazinylidene)methyl)2methoxyphenolate
COc1cc(C=NNc2(nH+)c3c(n2C)c(=O)n(c(=O)n3C)Cc2ccccc2)ccc1(O)
MFCD02987551
ZINC000008637229
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