Vitas-M small molecule compound
8-(1,3-benzodioxol-5-yloxy)-7-(2,6-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK530067
SMILES Clc1cccc(c1Cn1c(Oc2ccc3c(c2)OCO3)nc2c1c(=O)n(c(=O)n2C)C)Cl
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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 C21H16Cl2N4O5 MW 475.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16Cl2N4O5/c1-25-18-17(19(28)26(2)21(25)29)27(9-12-13(22)4-3-5-14(12)23)20(24-18)32-11-6-7-15-16(8-11)31-10-30-15/h3-8H,9-10H2,1-2H3InChIKey
MFNCEDSTQDALRU-UHFFFAOYSA-NSynonyms
8(13BENZODIOXOL5YLOXY)7((26DICHLOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
8(13benzodioxol5yloxy)7(26dichlorobenzyl)13dimethyl37dihydro1Hpurine26dione
8(benzo(d)(13)dioxol5yloxy)7(26dichlorobenzyl)13dimethyl1Hpurine26(3H7H)dione
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC4=C(C=C3)OCO4)CC5=C(C=CC=C5Cl)Cl
InChI=1SC21H16Cl2N4O5c1251817(19(28)26(2)21(25)29)27(91213(22)43514(12)23)20(2418)3211671516(811)31103015h38H910H212H3
MFCD02233562
ZINC000009310802
ZINC09310802
ZINC9310802
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