Vitas-M small molecule compound
8-[(1,3-benzodioxol-5-ylmethyl)amino]-1-(3,4-dichlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK804510
SMILES Clc1ccc(cc1Cl)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 C22H19Cl2N5O4 MW 488.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19Cl2N5O4/c1-27-18-19(26-21(27)25-9-12-4-6-16-17(8-12)33-11-32-16)28(2)22(31)29(20(18)30)10-13-3-5-14(23)15(24)7-13/h3-8H,9-11H2,1-2H3,(H,25,26)InChIKey
LSOCXNUIHLSMHT-UHFFFAOYSA-NSynonyms
8((13benzodioxol5ylmethyl)amino)1(34dichlorobenzyl)37dimethyl37dihydro1Hpurine26dione
8((benzo(d)(13)dioxol5ylmethyl)amino)1(34dichlorobenzyl)37dimethyl1Hpurine26(3H7H)dione
8(13BENZODIOXOL5YLMETHYLAMINO)1((34DICHLOROPHENYL)METHYL)37DIMETHYLPURINE26DIONE
CN1C2=C(N=C1NCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC(=C(C=C5)Cl)Cl)C
InChI=1SC22H19Cl2N5O4c1271819(2621(27)25912461617(812)33113216)28(2)22(31)29(20(18)30)10133514(23)15(24)713h38H911H212H3(H2526)
MFCD01554646
ZINC000009310135
ZINC09310135
ZINC9310135
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