Vitas-M small molecule compound

8-(hexylsulfanyl)-3-methyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK057366
SMILES CCCCCCSc1nc2c(n1C(C)C)c(=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 C15H24N4O2S MW 324.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H24N4O2S/c1-5-6-7-8-9-22-15-16-12-11(19(15)10(2)3)13(20)17-14(21)18(12)4/h10H,5-9H2,1-4H3,(H,17,20,21)
InChIKey
CWTBVDNTNRFADH-UHFFFAOYSA-N
Synonyms
331751-86-1
331751861
8(HEXYLSULFANYL)3METHYL7(PROPAN2YL)37DIHYDRO1HPURINE26DIONE
8(HEXYLSULFANYL)7ISOPROPYL3METHYL37DIHYDRO1HPURINE26DIONE
8(hexylthio)7isopropyl3methyl1Hpurine26(3H7H)dione
8HEXYLSULFANYL3METHYL7PROPAN2YLPURINE26DIONE
8HEXYLSULFANYL7ISOPROPYL3METHYL37DIHYDROPURINE26DIONE
8HEXYLTHIO3METHYL7(METHYLETHYL)137TRIHYDROPURINE26DIONE
CCCCCCSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C
CCCCCCSc1nc2c(n1C(C)C)c(=O)(nH)c(=O)n2C
InChI=1SC15H24N4O2Sc1567892215161211(19(15)10(2)3)13(20)1714(21)18(12)4h10H59H214H3(H172021)
MFCD01032087
STK057366
ZINC000002057281
ZINC02057281
ZINC2057281

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Available files

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