Vitas-M small molecule compound

8-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK805424
SMILES COc1ccc(cc1)/C=N/Nc1nc2c(n1CCCc1ccccc1)c(=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 C23H24N6O3 MW 432.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N6O3/c1-28-20-19(21(30)26-23(28)31)29(14-6-9-16-7-4-3-5-8-16)22(25-20)27-24-15-17-10-12-18(32-2)13-11-17/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,25,27)(H,26,30,31)/b24-15+
InChIKey
KPTFOOIWRXTYEV-BUVRLJJBSA-N
Synonyms
303973-09-3
(E)8(2(4methoxybenzylidene)hydrazinyl)3methyl7(3phenylpropyl)1Hpurine26(3H7H)dione
303973093
8(((1E)2(4METHOXYPHENYL)1AZAVINYL)AMINO)3METHYL7(3PHENYLPROPYL)137TRIHYDROPURINE26DIONE
8((2E)2((4methoxyphenyl)methylidene)hydrazinyl)3methyl7(3phenylpropyl)purine26dione
8((2E)2(4methoxybenzylidene)hydrazinyl)3methyl7(3phenylpropyl)37dihydro1Hpurine26dione
CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=C(C=C3)OC)CCCC4=CC=CC=C4
COc1ccc(cc1)C=NNc1nc2c(n1CCCc1ccccc1)c(=O)(nH)c(=O)n2C
InChI=1SC23H24N6O3c1282019(21(30)2623(28)31)29(1469167435816)22(2520)27241517101218(322)131117h3578101315H6914H212H3(H2527)(H263031)b2415+
MFCD01143490
ZINC000008809495
ZINC33693511

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.