Vitas-M small molecule compound
3-methyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-7-nonyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK527574
SMILES CCCCCCCCCn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])nc2c1c(=O)[nH]c(=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 C22H29N7O4 MW 455.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N7O4/c1-3-4-5-6-7-8-9-13-28-18-19(27(2)22(31)25-20(18)30)24-21(28)26-23-15-16-11-10-12-17(14-16)29(32)33/h10-12,14-15H,3-9,13H2,1-2H3,(H,24,26)(H,25,30,31)/b23-15+InChIKey
DBIJWBWXDOTWEP-HZHRSRAPSA-NSynonyms
331659-00-8(E)3methyl8(2(3nitrobenzylidene)hydrazinyl)7nonyl1Hpurine26(3H7H)dione
331659008
3methyl8((2E)2((3nitrophenyl)methylidene)hydrazinyl)7nonylpurine26dione
3methyl8((2E)2(3nitrobenzylidene)hydrazinyl)7nonyl37dihydro1Hpurine26dione
CCCCCCCCCn1c(NN=Cc2cccc(c2)(N+)(=O)(O))nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCCCN1C2=C(N=C1NN=CC3=CC(=CC=C3)(N+)(=O)(O))N(C(=O)NC2=O)C
InChI=1SC22H29N7O4c1345678913281819(27(2)22(31)2520(18)30)2421(28)2623151611101217(1416)29(32)33h10121415H3913H212H3(H2426)(H253031)b2315+
MFCD00620750
ZINC000001797196
ZINC102403590
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