Vitas-M small molecule compound

3-methyl-8-[(3-methylbenzyl)sulfanyl]-7-pentyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK840473
SMILES CCCCCn1c(SCc2cccc(c2)C)nc2c1c(=O)[nH]c(=O)n2C

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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 C19H24N4O2S MW 372.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24N4O2S/c1-4-5-6-10-23-15-16(22(3)18(25)21-17(15)24)20-19(23)26-12-14-9-7-8-13(2)11-14/h7-9,11H,4-6,10,12H2,1-3H3,(H,21,24,25)
InChIKey
ODTYOZMPWDMGOH-UHFFFAOYSA-N
Synonyms
371236-56-5
371236565
3methyl8((3methylbenzyl)sulfanyl)7pentyl37dihydro1Hpurine26dione
3METHYL8((3METHYLBENZYL)THIO)7PENTYL1HPURINE26(3H7H)DIONE
3METHYL8((3METHYLPHENYL)METHYLSULFANYL)7PENTYLPURINE26DIONE
3METHYL8((3METHYLPHENYL)METHYLTHIO)7PENTYLPURINE26DIONE
7AMYL3METHYL8((3METHYLBENZYL)THIO)XANTHINE
CCCCCn1c(SCc2cccc(c2)C)nc2c1c(=O)(nH)c(=O)n2C
CCCCCN1C2=C(N=C1SCC3=CC=CC(=C3)C)N(C(=O)NC2=O)C
InChI=1SC19H24N4O2Sc145610231516(22(3)18(25)2117(15)24)2019(23)26121497813(2)1114h7911H461012H213H3(H212425)
MFCD03007011
ZINC000006530695
ZINC06530695
ZINC6530695

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Available files

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