Vitas-M small molecule compound

8-methoxy-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK743668
SMILES COc1nc2c(n1Cc1ccccc1C)c(=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 C16H18N4O3 MW 314.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O3/c1-10-7-5-6-8-11(10)9-20-12-13(17-15(20)23-4)18(2)16(22)19(3)14(12)21/h5-8H,9H2,1-4H3
InChIKey
SIAQZHZICPICGQ-UHFFFAOYSA-N
Synonyms
696596-79-9
696596799
8METHOXY13DIMETHYL7((2METHYLPHENYL)METHYL)PURINE26DIONE
8methoxy13dimethyl7(2methylbenzyl)1Hpurine26(3H7H)dione
8methoxy13dimethyl7(2methylbenzyl)37dihydro1Hpurine26dione
CC1=CC=CC=C1CN2C3=C(N=C2OC)N(C(=O)N(C3=O)C)C
InChI=1SC16H18N4O3c110756811(10)9201213(1715(20)234)18(2)16(22)19(3)14(12)21h58H9H214H3
MFCD05260146
ZINC000000612860
ZINC00612860
ZINC612860

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Available files

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