Vitas-M small molecule compound
7-benzyl-3-methyl-1-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK765290
SMILES Cc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n(cn2)Cc1ccccc1
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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 C21H20N4O2 MW 360.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2/c1-15-8-10-17(11-9-15)13-25-20(26)18-19(23(2)21(25)27)22-14-24(18)12-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3InChIKey
PQZAJLFOWQAPPJ-UHFFFAOYSA-NSynonyms
3METHYL1((4METHYLPHENYL)METHYL)7BENZYL137TRIHYDROPURINE26DIONE
7benzyl3methyl1((4methylphenyl)methyl)purine26dione
7benzyl3methyl1(4methylbenzyl)37dihydro1Hpurine26dione
CC1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)C
InChI=1SC21H20N4O2c11581017(11915)132520(26)1819(23(2)21(25)27)221424(18)12166435716h31114H1213H212H3
MFCD02933620
ZINC000000970204
ZINC00970204
ZINC970204
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