Vitas-M small molecule compound
4-[(1E)-1-{2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-9-ium-7-yl)acetyl]hydrazinylidene}ethyl]-2-methoxyphenolate
Catalog ID
STL044449
SMILES COc1cc(ccc1[O-])/C(=N/NC(=O)Cn1c[nH+]c2c1c(=O)n(C)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 C18H20N6O5 MW 400.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6O5/c1-10(11-5-6-12(25)13(7-11)29-4)20-21-14(26)8-24-9-19-16-15(24)17(27)23(3)18(28)22(16)2/h5-7,9,25H,8H2,1-4H3,(H,21,26)/b20-10+InChIKey
YOEATUGHSSHHGE-KEBDBYFISA-NSynonyms
315217-89-1315217891
4((1E)1(2((13dimethyl26dioxo1236tetrahydro7Hpurin9ium7yl)acetyl)hydrazinylidene)ethyl)2methoxyphenolate
COc1cc(ccc1(O))C(=NNC(=O)Cn1c(nH+)c2c1c(=O)n(C)c(=O)n2C)C
MFCD02076856
ZINC000008817437
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