Vitas-M small molecule compound
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]-2-ethoxyphenolate
Catalog ID
STL147750
SMILES CCOc1cc(/C=N/Nc2[nH+]c3c(n2CC(=C)C)c(=O)n(c(=O)n3C)C)ccc1[O-]
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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 C20H24N6O4 MW 412.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N6O4/c1-6-30-15-9-13(7-8-14(15)27)10-21-23-19-22-17-16(26(19)11-12(2)3)18(28)25(5)20(29)24(17)4/h7-10,27H,2,6,11H2,1,3-5H3,(H,22,23)/b21-10+InChIKey
WMIXOQQBMYMTOZ-UFFVCSGVSA-NSynonyms
361173-37-7361173377
4((E)(2(13dimethyl7(2methylprop2en1yl)26dioxo2367tetrahydro1Hpurin9ium8yl)hydrazinylidene)methyl)2ethoxyphenolate
CCOc1cc(C=NNc2(nH+)c3c(n2CC(=C)C)c(=O)n(c(=O)n3C)C)ccc1(O)
MFCD02984919
ZINC000004812856
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