Vitas-M small molecule compound
7-benzyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK766302
SMILES Clc1cc2OCOc2cc1Cn1c(=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 C21H17ClN4O4 MW 424.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O4/c1-24-19-18(25(11-23-19)9-13-5-3-2-4-6-13)20(27)26(21(24)28)10-14-7-16-17(8-15(14)22)30-12-29-16/h2-8,11H,9-10,12H2,1H3InChIKey
UWJGCJVTGIJMTK-UHFFFAOYSA-NSynonyms
1((6CHLORO(2HBENZO(D)13DIOXOLEN5YL))METHYL)3METHYL7BENZYL137TRIHYDROPURINE26DIONE
7benzyl1((6chloro13benzodioxol5yl)methyl)3methyl37dihydro1Hpurine26dione
7BENZYL1((6CHLORO13BENZODIOXOL5YL)METHYL)3METHYLPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)CC3=CC4=C(C=C3Cl)OCO4)N(C=N2)CC5=CC=CC=C5
InChI=1SC21H17ClN4O4c1241918(25(112319)9135324613)20(27)26(21(24)28)101471617(815(14)22)30122916h2811H91012H21H3
MFCD02934894
ZINC000001087858
ZINC01087858
ZINC1087858
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