Vitas-M small molecule compound

8-{[2-(diethylamino)ethyl]amino}-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK555272
SMILES CCN(CCNc1nc2c(n1CC(COc1ccccc1C)O)c(=O)n(c(=O)n2C)C)CC

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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 C23H34N6O4 MW 458.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H34N6O4/c1-6-28(7-2)13-12-24-22-25-20-19(21(31)27(5)23(32)26(20)4)29(22)14-17(30)15-33-18-11-9-8-10-16(18)3/h8-11,17,30H,6-7,12-15H2,1-5H3,(H,24,25)
InChIKey
BMSLXFPDWCWGAS-UHFFFAOYSA-N
Synonyms
510717-22-3
510717223
8((2(DIETHYLAMINO)ETHYL)AMINO)7(2HYDROXY3(2METHYLPHENOXY)PROPYL)13DIMETHYL137TRIHYDROPURINE26DIONE
8((2(diethylamino)ethyl)amino)7(2hydroxy3(2methylphenoxy)propyl)13dimethyl37dihydro1Hpurine26dione
8((2(DIETHYLAMINO)ETHYL)AMINO)7(2HYDROXY3(OTOLYLOXY)PROPYL)13DIMETHYL1HPURINE26(3H7H)DIONE
8(2(diethylamino)ethylamino)7(2hydroxy3(2methylphenoxy)propyl)13dimethylpurine26dione
8(2DIETHYLAMINOETHYLAMINO)7(2HYDROXY3(2METHYLPHENOXY)PROPYL)13DIMETHYLPURINE26DIONE
CCN(CC)CCNC1=NC2=C(N1CC(COC3=CC=CC=C3C)O)C(=O)N(C(=O)N2C)C
InChI=1SC23H34N6O4c1628(72)13122422252019(21(31)27(5)23(32)26(20)4)29(22)1417(30)15331811981016(18)3h8111730H671215H215H3(H2425)
MFCD03417459
ZINC000005356512
ZINC000005356520

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.