Vitas-M small molecule compound

7-(2,3-dihydroxypropyl)-2-hydroxy-3-methyl-3,7-dihydro-6H-purin-6-one

Catalog ID
STL528545
SMILES OCC(Cn1cnc2c1c(=O)nc(n2C)O)O

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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 C9H12N4O4 MW 240.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H12N4O4/c1-12-7-6(8(16)11-9(12)17)13(4-10-7)2-5(15)3-14/h4-5,14-15H,2-3H2,1H3,(H,11,16,17)
InChIKey
CEQTZOYQHCHZTF-UHFFFAOYSA-N
Synonyms
62637-09-6
1HPURINE26DIONE7(23DIHYDROXYPROPYL)37DIHYDRO3METHYL
3616685
62637096
7(23dihydroxypropyl)2hydroxy3methyl37dihydro6Hpurin6one
7(23DIHYDROXYPROPYL)3METHYL1HPURINE26(3H7H)DIONE
7(23DIHYDROXYPROPYL)3METHYL37DIHYDRO1HPURINE26DIONE
7(23DIHYDROXYPROPYL)3METHYLPURINE26DIONE
7(23DIHYDROXYPROPYL)3METHYLXANTHINE
InChI=1SC9H12N4O4c11276(8(16)119(12)17)13(4107)25(15)314h451415H23H21H3(H111617)
MFCD03803793
ZINC000000485734
ZINC000000485735

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Available files

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