Vitas-M small molecule compound

7-butyl-8-(heptylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK081073
SMILES CCCCCCCSc1nc2c(n1CCCC)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 C17H28N4O2S MW 352.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H28N4O2S/c1-4-6-8-9-10-12-24-17-18-14-13(21(17)11-7-5-2)15(22)19-16(23)20(14)3/h4-12H2,1-3H3,(H,19,22,23)
InChIKey
XXAORGCPRBPUAA-UHFFFAOYSA-N
Synonyms
303968-84-5
303968845
7BUTYL8(HEPTYLSULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7butyl8(heptylthio)3methyl1Hpurine26(3H7H)dione
7BUTYL8HEPTYLSULFANYL3METHYLPURINE26DIONE
CCCCCCCSC1=NC2=C(N1CCCC)C(=O)NC(=O)N2C
CCCCCCCSc1nc2c(n1CCCC)c(=O)(nH)c(=O)n2C
InChI=1SC17H28N4O2Sc1468910122417181413(21(17)11752)15(22)1916(23)20(14)3h412H213H3(H192223)
MFCD01556143
STK081073
ZINC000097949537
ZINC97949537

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Available files

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