Vitas-M small molecule compound
3-[(E)-{2-[7-(4-fluorobenzyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-9-ium-8-yl]hydrazinylidene}methyl]phenolate
Catalog ID
STK574478
SMILES Fc1ccc(cc1)Cn1c(N/N=C/c2cccc(c2)[O-])[nH+]c2c1c(O)nc(=O)n2C
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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 C20H17FN6O3 MW 408.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17FN6O3/c1-26-17-16(18(29)24-20(26)30)27(11-12-5-7-14(21)8-6-12)19(23-17)25-22-10-13-3-2-4-15(28)9-13/h2-10,28H,11H2,1H3,(H,23,25)(H,24,29,30)/b22-10+InChIKey
JGZREXIVGYOGTF-LSHDLFTRSA-NSynonyms
902307-81-7902307817
Fc1ccc(cc1)Cn1c(NN=Cc2cccc(c2)(O))(nH+)c2c1c(O)nc(=O)n2C
MFCD07208111
ZINC000005208852
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