Vitas-M small molecule compound
4-[(E)-{2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-9-ium-7-yl)acetyl]hydrazinylidene}methyl]benzoate
Catalog ID
STK559808
SMILES O=C(Cn1c[nH+]c2c1c(=O)n(C)c(=O)n2C)N/N=C/c1ccc(cc1)C(=O)[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 C17H16N6O5 MW 384.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N6O5/c1-21-14-13(15(25)22(2)17(21)28)23(9-18-14)8-12(24)20-19-7-10-3-5-11(6-4-10)16(26)27/h3-7,9H,8H2,1-2H3,(H,20,24)(H,26,27)/b19-7+InChIKey
XBQIOXSRDLBNTP-FBCYGCLPSA-NSynonyms
315218-06-5315218065
4((E)(2((13dimethyl26dioxo1236tetrahydro7Hpurin9ium7yl)acetyl)hydrazinylidene)methyl)benzoate
MFCD02076873
O=C(Cn1c(nH+)c2c1c(=O)n(C)c(=O)n2C)NN=Cc1ccc(cc1)C(=O)(O)
ZINC000001307438
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