Vitas-M small molecule compound

7-butyl-3-methyl-8-[(4-methylbenzyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK017373
SMILES CCCCn1c(SCc2ccc(cc2)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 C18H22N4O2S MW 358.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O2S/c1-4-5-10-22-14-15(21(3)17(24)20-16(14)23)19-18(22)25-11-13-8-6-12(2)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,20,23,24)
InChIKey
SCRFYZNSYBVQET-UHFFFAOYSA-N
Synonyms
303968-97-0
7BUTYL3METHYL8((4METHYLBENZYL)SULFANYL)37DIHYDRO1HPURINE26DIONE
7BUTYL3METHYL8((4METHYLBENZYL)THIO)1HPURINE26(3H7H)DIONE
7BUTYL3METHYL8((4METHYLPHENYL)METHYLSULFANYL)PURINE26DIONE
7BUTYL3METHYL8((4METHYLPHENYL)METHYLTHIO)137TRIHYDROPURINE26DIONE
7BUTYL3METHYL8(4METHYLBENZYLSULFANYL)37DIHYDROPURINE26DIONE
7BUTYL6HYDROXY3METHYL8((4METHYLBENZYL)SULFANYL)37DIHYDRO2HPURIN2ONE
CCCCn1c(SCc2ccc(cc2)C)nc2c1c(=O)(nH)c(=O)n2C
CCCCN1C2=C(N=C1SCC3=CC=C(C=C3)C)N(C(=O)NC2=O)C
InChI=1SC18H22N4O2Sc14510221415(21(3)17(24)2016(14)23)1918(22)2511138612(2)7913h69H451011H213H3(H202324)
MFCD01556463
STK017373
ZINC000001821368
ZINC01821368
ZINC1821368

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Available files

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