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]phenolate
Catalog ID
STL043818
SMILES CC(=C)Cn1c(N/N=C/c2ccc(cc2)[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 C18H20N6O3 MW 368.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6O3/c1-11(2)10-24-14-15(22(3)18(27)23(4)16(14)26)20-17(24)21-19-9-12-5-7-13(25)8-6-12/h5-9,25H,1,10H2,2-4H3,(H,20,21)/b19-9+InChIKey
JULSQXJBOATXRW-DJKKODMXSA-NSynonyms
361173-35-5361173355
4((E)(2(13dimethyl7(2methylprop2en1yl)26dioxo2367tetrahydro1Hpurin9ium8yl)hydrazinylidene)methyl)phenolate
CC(=C)Cn1c(NN=Cc2ccc(cc2)(O))(nH+)c2c1c(=O)n(c(=O)n2C)C
MFCD02984074
ZINC000003893382
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