Vitas-M small molecule compound
2-[(1E)-1-{2-[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]hydrazinylidene}ethyl]phenolate
Catalog ID
STK565229
SMILES Clc1ccc(cc1)Cn1c(N/N=C(/c2ccccc2[O-])\C)[nH+]c2c1c(=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 C22H21ClN6O3 MW 452.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN6O3/c1-13(16-6-4-5-7-17(16)30)25-26-21-24-19-18(20(31)28(3)22(32)27(19)2)29(21)12-14-8-10-15(23)11-9-14/h4-11,30H,12H2,1-3H3,(H,24,26)/b25-13+InChIKey
CGSIJJPQQZYPCW-DHRITJCHSA-NSynonyms
536719-41-22((1E)1(2(7(4chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin9ium8yl)hydrazinylidene)ethyl)phenolate
536719412
Clc1ccc(cc1)Cn1c(NN=C(c2ccccc2(O))C)(nH+)c2c1c(=O)n(c(=O)n2C)C
MFCD04009916
ZINC000100863070
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