Vitas-M small molecule compound
8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK086511
SMILES Fc1cccc(c1Cn1c(NCc2ccc3c(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 C22H19ClFN5O4 MW 471.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClFN5O4/c1-27-19-18(20(30)28(2)22(27)31)29(10-13-14(23)4-3-5-15(13)24)21(26-19)25-9-12-6-7-16-17(8-12)33-11-32-16/h3-8H,9-11H2,1-2H3,(H,25,26)InChIKey
ZSBXWBPTZSUJHO-UHFFFAOYSA-NSynonyms
359909-79-8359909798
8((13BENZODIOXOL5YLMETHYL)AMINO)7(2CHLORO6FLUOROBENZYL)13DIMETHYL37DIHYDRO1HPURINE26DIONE
8((benzo(d)(13)dioxol5ylmethyl)amino)7(2chloro6fluorobenzyl)13dimethyl1Hpurine26(3H7H)dione
8(13BENZODIOXOL5YLMETHYLAMINO)7((2CHLORO6FLUOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC4=C(C=C3)OCO4)CC5=C(C=CC=C5Cl)F
Fc1cccc(c1Cn1c(NCc2ccc3c(c2)OCO3)nc2c1c(=O)n(c(=O)n2C)C)Cl
InChI=1SC22H19ClFN5O4c1271918(20(30)28(2)22(27)31)29(101314(23)43515(13)24)21(2619)25912671617(812)33113216h38H911H212H3(H2526)
MFCD01555101
STK086511
ZINC000002311327
ZINC02311327
ZINC2311327
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