Vitas-M small molecule compound
8-{[2-(1H-indol-3-yl)ethyl]amino}-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK262548
SMILES Cc1cccc(c1)Cn1c(NCCc2c[nH]c3c2cccc3)nc2c1c(=O)n(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 C25H26N6O2 MW 442.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N6O2/c1-16-7-6-8-17(13-16)15-31-21-22(29(2)25(33)30(3)23(21)32)28-24(31)26-12-11-18-14-27-20-10-5-4-9-19(18)20/h4-10,13-14,27H,11-12,15H2,1-3H3,(H,26,28)InChIKey
GSXOJGUZDLELQA-UHFFFAOYSA-NSynonyms
7(3METHYLBENZYL)8((2(1HINDOL3YL)ETHYL)AMINO)13DIMETHYL37DIHYDRO1HPURINE26DIONE
8((2(1Hindol3yl)ethyl)amino)13dimethyl7(3methylbenzyl)37dihydro1Hpurine26dione
8((2INDOL3YLETHYL)AMINO)13DIMETHYL7((3METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
8(2(1HINDOL3YL)ETHYLAMINO)13DIMETHYL7((3METHYLPHENYL)METHYL)PURINE26DIONE
CC1=CC(=CC=C1)CN2C3=C(N=C2NCCC4=CNC5=CC=CC=C54)N(C(=O)N(C3=O)C)C
Cc1cccc(c1)Cn1c(NCCc2c(nH)c3c2cccc3)nc2c1c(=O)n(c(=O)n2C)C
InChI=1SC25H26N6O2c11676817(1316)15312122(29(2)25(33)30(3)23(21)32)2824(31)261211181427201054919(18)20h410131427H111215H213H3(H2628)
MFCD07621012
ZINC000008774923
ZINC08774923
ZINC8774923
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.