Vitas-M small molecule compound
7-benzyl-8-bromo-1-butyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK529665
SMILES CCCCn1c(=O)n(C)c2c(c1=O)n(Cc1ccccc1)c(n2)Br
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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 C17H19BrN4O2 MW 391.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19BrN4O2/c1-3-4-10-21-15(23)13-14(20(2)17(21)24)19-16(18)22(13)11-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3InChIKey
HLAMIVFAERQOEM-UHFFFAOYSA-NSynonyms
304878-38-4304878384
7benzyl8bromo1butyl3methyl1Hpurine26(3H7H)dione
7benzyl8bromo1butyl3methyl37dihydro1Hpurine26dione
7BENZYL8BROMO1BUTYL3METHYLPURINE26DIONE
CCCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)Br)N(C1=O)C
InChI=1SC17H19BrN4O2c134102115(23)1314(20(2)17(21)24)1916(18)22(13)11128657912h59H341011H212H3
MFCD00754424
ZINC000013512017
ZINC13512017
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