Vitas-M small molecule compound
4-[(E)-{2-[1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]hydrazinylidene}methyl]-3-hydroxyphenolate
Catalog ID
STK564063
SMILES Cc1ccc(cc1)Cn1c(N/N=C/c2ccc(cc2O)[O-])[nH+]c2c1c(=O)n(C)c(=O)n2C
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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/c1-13-4-6-14(7-5-13)12-28-18-19(26(2)22(32)27(3)20(18)31)24-21(28)25-23-11-15-8-9-16(29)10-17(15)30/h4-11,29-30H,12H2,1-3H3,(H,24,25)/b23-11+InChIKey
VHHRYWYFHMOPCT-FOKLQQMPSA-NSynonyms
536718-65-74((E)(2(13dimethyl7(4methylbenzyl)26dioxo2367tetrahydro1Hpurin9ium8yl)hydrazinylidene)methyl)3hydroxyphenolate
536718657
Cc1ccc(cc1)Cn1c(NN=Cc2ccc(cc2O)(O))(nH+)c2c1c(=O)n(C)c(=O)n2C
MFCD03417453
ZINC000005356453
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