Vitas-M small molecule compound
2-[(E)-{2-[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]hydrazinylidene}methyl]phenolate
Catalog ID
STK565883
SMILES Clc1ccc(cc1)Cn1c(N/N=C/c2ccccc2[O-])[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 C21H19ClN6O3 MW 438.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN6O3/c1-26-18-17(19(30)27(2)21(26)31)28(12-13-7-9-15(22)10-8-13)20(24-18)25-23-11-14-5-3-4-6-16(14)29/h3-11,29H,12H2,1-2H3,(H,24,25)/b23-11+InChIKey
LIRYOLRRNLXLCE-FOKLQQMPSA-NSynonyms
536719-26-32((E)(2(7(4chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin9ium8yl)hydrazinylidene)methyl)phenolate
536719263
Clc1ccc(cc1)Cn1c(NN=Cc2ccccc2(O))(nH+)c2c1c(=O)n(c(=O)n2C)C
MFCD04013114
ZINC000009354205
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