Vitas-M small molecule compound
7-(4-bromobenzyl)-1,3-dimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK228685
SMILES Brc1ccc(cc1)Cn1c(Oc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C
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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 C20H17BrN4O3 MW 441.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN4O3/c1-23-17-16(18(26)24(2)20(23)27)25(12-13-8-10-14(21)11-9-13)19(22-17)28-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3InChIKey
QISMPSYVLIGFPX-UHFFFAOYSA-NSynonyms
7((4BROMOPHENYL)METHYL)13DIMETHYL8PHENOXYPURINE26DIONE
7(4BROMOBENZYL)13DIMETHYL8PHENOXY37DIHYDRO1HPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3)CC4=CC=C(C=C4)Br
InChI=1SC20H17BrN4O3c1231716(18(26)24(2)20(23)27)25(121381014(21)11913)19(2217)28156435715h311H12H212H3
MFCD06124823
ZINC000009289181
ZINC09289181
ZINC9289181
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