Vitas-M small molecule compound
2-bromo-4-[(E)-{2-[1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]hydrazinylidene}methyl]-6-methoxyphenolate
Catalog ID
STK565152
SMILES COc1cc(/C=N/Nc2[nH+]c3c(n2CC(=C)C)c(=O)n(c(=O)n3C)C)cc(c1[O-])Br
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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 C19H21BrN6O4 MW 477.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21BrN6O4/c1-10(2)9-26-14-16(24(3)19(29)25(4)17(14)28)22-18(26)23-21-8-11-6-12(20)15(27)13(7-11)30-5/h6-8,27H,1,9H2,2-5H3,(H,22,23)/b21-8+InChIKey
CAAJSHNRFPUXPT-ODCIPOBUSA-NSynonyms
378206-20-32bromo4((E)(2(13dimethyl7(2methylprop2en1yl)26dioxo2367tetrahydro1Hpurin9ium8yl)hydrazinylidene)methyl)6methoxyphenolate
378206203
COc1cc(C=NNc2(nH+)c3c(n2CC(=C)C)c(=O)n(c(=O)n3C)C)cc(c1(O))Br
MFCD02984453
ZINC000009057717
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