Vitas-M small molecule compound
7-(4-bromobenzyl)-8-(4-chloro-2-cyclohexylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK682276
SMILES Clc1ccc(c(c1)C1CCCCC1)Oc1nc2c(n1Cc1ccc(cc1)Br)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 C26H26BrClN4O3 MW 557.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrClN4O3/c1-30-23-22(24(33)31(2)26(30)34)32(15-16-8-10-18(27)11-9-16)25(29-23)35-21-13-12-19(28)14-20(21)17-6-4-3-5-7-17/h8-14,17H,3-7,15H2,1-2H3InChIKey
JCABLZJXKYDKLC-UHFFFAOYSA-NSynonyms
7((4BROMOPHENYL)METHYL)8(4CHLORO2CYCLOHEXYLPHENOXY)13DIMETHYLPURINE26DIONE
7(4bromobenzyl)8(4chloro2cyclohexylphenoxy)13dimethyl37dihydro1Hpurine26dione
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=C(C=C(C=C3)Cl)C4CCCCC4)CC5=CC=C(C=C5)Br
InChI=1SC26H26BrClN4O3c1302322(24(33)31(2)26(30)34)32(151681018(27)11916)25(2923)3521131219(28)1420(21)176435717h81417H3715H212H3
MFCD03855104
ZINC000098005783
ZINC98005783
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