Vitas-M small molecule compound
8-[(1,3-benzodioxol-5-ylmethyl)amino]-1-(3-chlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK054631
SMILES Clc1cccc(c1)Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)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 C22H20ClN5O4 MW 453.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN5O4/c1-26-18-19(25-21(26)24-10-13-6-7-16-17(9-13)32-12-31-16)27(2)22(30)28(20(18)29)11-14-4-3-5-15(23)8-14/h3-9H,10-12H2,1-2H3,(H,24,25)InChIKey
CBRCBVATDAVAOV-UHFFFAOYSA-NSynonyms
8((13BENZODIOXOL5YLMETHYL)AMINO)1(3CHLOROBENZYL)37DIMETHYL37DIHYDRO1HPURINE26DIONE
8(13BENZODIOXOL5YLMETHYLAMINO)1((3CHLOROPHENYL)METHYL)37DIMETHYLPURINE26DIONE
Clc1cccc(c1)Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)NCc1ccc2c(c1)OCO2
CN1C2=C(N=C1NCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC(=CC=C5)Cl)C
InChI=1SC22H20ClN5O4c1261819(2521(26)241013671617(913)32123116)27(2)22(30)28(20(18)29)111443515(23)814h39H1012H212H3(H2425)
MFCD02070723
STK054631
ZINC000009434991
ZINC09434991
ZINC9434991
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