Vitas-M small molecule compound

3-benzyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK237441
SMILES Cn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1

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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 C13H12N4O2 MW 256.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4O2/c1-16-8-14-11-10(16)12(18)15-13(19)17(11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,18,19)
InChIKey
HLZRFXDGQLYGMP-UHFFFAOYSA-N
Synonyms
64995-73-9
1HPURINE26DIONE37DIHYDRO7METHYL3(PHENYLMETHYL)
3BENZYL7METHYL37DIHYDRO1HPURINE26DIONE
3BENZYL7METHYLPURINE26DIONE
64995739
CN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3
Cn1cnc2c1c(=O)(nH)c(=O)n2Cc1ccccc1
InChI=1SC13H12N4O2c1168141110(16)12(18)1513(19)17(11)79532469h268H7H21H3(H151819)
MFCD00101135
ZINC000000205222
ZINC00205222
ZINC205222

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Available files

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