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Vitas-M small molecule compound

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

Catalog ID
STK697630
SMILES O=c1[nH]c(=O)n(c2c1n(cn2)Cc1ccccc1)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 C13H12N4O2 MW 256.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4O2/c1-16-11-10(12(18)15-13(16)19)17(8-14-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,18,19)
InChIKey
NGGPQVDOOZWSIG-UHFFFAOYSA-N
Synonyms
56025-86-6
1HPURINE26DIONE37DIHYDRO3METHYL7(PHENYLMETHYL)
3METHYL7(PHENYLMETHYL)37DIHYDRO1HPURINE26DIONE
3METHYL7BENZYL137TRIHYDROPURINE26DIONE
3METHYL7BENZYL7HPURINE26(1H3H)DIONE
3METHYL7BENZYLXANTHINE
56025866
7BENZYL3METHYL1HPURINE26(3H7H)DIONE
7BENZYL3METHYL1HPURINE26DIONE
7benzyl3methyl37dihydro1Hpurine26dione
7BENZYL3METHYL37DIHYDROPURINE26DIONE
7BENZYL3METHYLPURINE26DIONE
7BENZYL3METHYLXANTHINE
CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CC=C3
InChI=1SC13H12N4O2c1161110(12(18)1513(16)19)17(81411)79532469h268H7H21H3(H151819)
MFCD00981459
O=c1(nH)c(=O)n(c2c1n(cn2)Cc1ccccc1)C
PURINE26DIONE7BENZYL3METHYL37DIHYDRO
ZINC000000052624
ZINC00052624
ZINC52624

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Available files

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

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