Vitas-M small molecule compound

8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK261321
SMILES Cn1c(=O)n(C)c(=O)c2c1nc(n2Cc1ccccc1)NCc1ccc2c(c1)OCO2

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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/c1-25-19-18(20(28)26(2)22(25)29)27(12-14-6-4-3-5-7-14)21(24-19)23-11-15-8-9-16-17(10-15)31-13-30-16/h3-10H,11-13H2,1-2H3,(H,23,24)
InChIKey
GHJFTIDFLQFAPL-UHFFFAOYSA-N
Synonyms
300587-98-8
300587988
8((13BENZODIOXOL5YLMETHYL)AMINO)7BENZYL13DIMETHYL37DIHYDRO1HPURINE26DIONE
8((2HBENZO(34D)13DIOXOLEN5YLMETHYL)AMINO)13DIMETHYL7BENZYL137TRIHYDROPURINE26DIONE
8((benzo(d)(13)dioxol5ylmethyl)amino)7benzyl13dimethyl1Hpurine26(3H7H)dione
8(13BENZODIOXOL5YLMETHYLAMINO)7BENZYL13DIMETHYLPURINE26DIONE
8(BENZO(D)(13)DIOXOL5YLMETHYLAMINO)7BENZYL13DIMETHYL1HPURINE26(3H7H)DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5
InChI=1SC22H21N5O4c1251918(20(28)26(2)22(25)29)27(12146435714)21(2419)231115891617(1015)31133016h310H1113H212H3(H2324)
MFCD01550736
ZINC000013116336
ZINC13116336

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Available files

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