Vitas-M small molecule compound

8-(dimethylamino)-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK528724
SMILES CCCCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N(C)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 C16H27N5O2 MW 321.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H27N5O2/c1-5-6-7-8-9-10-11-21-12-13(17-15(21)19(2)3)20(4)16(23)18-14(12)22/h5-11H2,1-4H3,(H,18,22,23)
InChIKey
CRWROUZTCZZVFH-UHFFFAOYSA-N
Synonyms
300391-85-9
300391859
8(dimethylamino)3methyl7octyl1Hpurine26(3H7H)dione
8(dimethylamino)3methyl7octyl37dihydro1Hpurine26dione
8(DIMETHYLAMINO)3METHYL7OCTYLPURINE26DIONE
8DIMETHYLAMINO3METHYL7OCTYL37DIHYDROPURINE26DIONE
CCCCCCCCn1c(nc2c1c(=O)(nH)c(=O)n2C)N(C)C
CCCCCCCCN1C2=C(N=C1N(C)C)N(C(=O)NC2=O)C
InChI=1SC16H27N5O2c1567891011211213(1715(21)19(2)3)20(4)16(23)1814(12)22h511H214H3(H182223)
MFCD00612613
ZINC000002255694
ZINC2255694

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Available files

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