Vitas-M small molecule compound
8-[(1,3-benzodioxol-5-ylmethyl)amino]-1-benzyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK098559
SMILES Cn1c(NCc2ccc3c(c2)OCO3)nc2c1c(=O)n(c(=O)n2C)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 C22H21N5O4 MW 419.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O4/c1-25-18-19(24-21(25)23-11-15-8-9-16-17(10-15)31-13-30-16)26(2)22(29)27(20(18)28)12-14-6-4-3-5-7-14/h3-10H,11-13H2,1-2H3,(H,23,24)InChIKey
MLGSNLKHYAETAW-UHFFFAOYSA-NSynonyms
300589-32-6300589326
8((13BENZODIOXOL5YLMETHYL)AMINO)1BENZYL37DIMETHYL37DIHYDRO1HPURINE26DIONE
8((benzo(d)(13)dioxol5ylmethyl)amino)1benzyl37dimethyl1Hpurine26(3H7H)dione
8(13BENZODIOXOL5YLMETHYLAMINO)1BENZYL37DIMETHYLPURINE26DIONE
Cn1c(NCc2ccc3c(c2)OCO3)nc2c1c(=O)n(c(=O)n2C)Cc1ccccc1
CN1C2=C(N=C1NCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC=CC=C5)C
InChI=1SC22H21N5O4c1251819(2421(25)231115891617(1015)31133016)26(2)22(29)27(20(18)28)12146435714h310H1113H212H3(H2324)
MFCD01550817
STK098559
ZINC000000789681
ZINC00789681
ZINC789681
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