Vitas-M small molecule compound
8-bromo-1,3-dimethyl-7-(1-oxo-1-phenylheptan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK693317
SMILES CCCCCC(n1c(Br)nc2c1c(=O)n(C)c(=O)n2C)C(=O)c1ccccc1
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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 C20H23BrN4O3 MW 447.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23BrN4O3/c1-4-5-7-12-14(16(26)13-10-8-6-9-11-13)25-15-17(22-19(25)21)23(2)20(28)24(3)18(15)27/h6,8-11,14H,4-5,7,12H2,1-3H3InChIKey
PPFIBZHJYSTYTA-UHFFFAOYSA-NSynonyms
8bromo13dimethyl7(1oxo1phenylheptan2yl)37dihydro1Hpurine26dione
8bromo13dimethyl7(1oxo1phenylheptan2yl)purine26dione
CCCCCC(C(=O)C1=CC=CC=C1)N2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C
InChI=1SC20H23BrN4O3c14571214(16(26)13108691113)251517(2219(25)21)23(2)20(28)24(3)18(15)27h681114H45712H213H3
MFCD10039410
ZINC000015106374
ZINC000015106377
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