Vitas-M small molecule compound
2-[(E)-{2-[1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]hydrazinylidene}methyl]-6-methoxyphenolate
Catalog ID
STK564017
SMILES COc1cccc(c1[O-])/C=N/Nc1[nH+]c2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C
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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 C23H24N6O4 MW 448.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N6O4/c1-14-8-10-15(11-9-14)13-29-18-20(27(2)23(32)28(3)21(18)31)25-22(29)26-24-12-16-6-5-7-17(33-4)19(16)30/h5-12,30H,13H2,1-4H3,(H,25,26)/b24-12+InChIKey
BKDCRASJCPCZHI-WYMPLXKRSA-NSynonyms
536718-62-42((E)(2(13dimethyl7(4methylbenzyl)26dioxo2367tetrahydro1Hpurin9ium8yl)hydrazinylidene)methyl)6methoxyphenolate
536718624
COc1cccc(c1(O))C=NNc1(nH+)c2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C
MFCD04007912
ZINC000009403445
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