Vitas-M small molecule compound
4-[(E)-{2-[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]hydrazinylidene}methyl]-3-hydroxyphenolate
Catalog ID
STK560625
SMILES Clc1ccc(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 C21H19ClN6O4 MW 454.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN6O4/c1-26-18-17(19(31)27(2)21(26)32)28(11-12-3-6-14(22)7-4-12)20(24-18)25-23-10-13-5-8-15(29)9-16(13)30/h3-10,29-30H,11H2,1-2H3,(H,24,25)/b23-10+InChIKey
UGZMJLGPZGXCJC-AUEPDCJTSA-NSynonyms
536719-35-44((E)(2(7(4chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin9ium8yl)hydrazinylidene)methyl)3hydroxyphenolate
536719354
Clc1ccc(cc1)Cn1c(NN=Cc2ccc(cc2O)(O))(nH+)c2c1c(=O)n(C)c(=O)n2C
MFCD04007303
ZINC000009313076
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