Vitas-M small molecule compound

6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one

Catalog ID
STK597545
SMILES OC(Cn1c(NCCCn2cncc2)nc2c1c(O)nc(=O)n2C)COc1cccc(c1)C

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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 C22H27N7O4 MW 453.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N7O4/c1-15-5-3-6-17(11-15)33-13-16(30)12-29-18-19(27(2)22(32)26-20(18)31)25-21(29)24-7-4-9-28-10-8-23-14-28/h3,5-6,8,10-11,14,16,30H,4,7,9,12-13H2,1-2H3,(H,24,25)(H,26,31,32)
InChIKey
WMIUTHXLLCSTRX-UHFFFAOYSA-N
Synonyms
862487-92-1
862487921
MFCD07200182
ZINC000009109504
ZINC000009110058

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Available files

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