Vitas-M small molecule compound

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

Catalog ID
STK527559
SMILES CCCCCCSc1nc2c(n1CCC(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 C17H28N4O2S MW 352.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H28N4O2S/c1-5-6-7-8-11-24-17-18-14-13(21(17)10-9-12(2)3)15(22)19-16(23)20(14)4/h12H,5-11H2,1-4H3,(H,19,22,23)
InChIKey
GRUYOIPVFDWJNK-UHFFFAOYSA-N
Synonyms
327168-68-3
327168683
8(hexylsulfanyl)3methyl7(3methylbutyl)37dihydro1Hpurine26dione
8(hexylthio)7isopentyl3methyl1Hpurine26(3H7H)dione
8HEXYLSULFANYL3METHYL7(3METHYLBUTYL)37DIHYDROPURINE26DIONE
8HEXYLSULFANYL3METHYL7(3METHYLBUTYL)PURINE26DIONE
8HEXYLTHIO3METHYL7(3METHYLBUTYL)137TRIHYDROPURINE26DIONE
CCCCCCSC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C
CCCCCCSc1nc2c(n1CCC(C)C)c(=O)(nH)c(=O)n2C
InChI=1SC17H28N4O2Sc15678112417181413(21(17)10912(2)3)15(22)1916(23)20(14)4h12H511H214H3(H192223)
MFCD01017644
ZINC000012532247
ZINC12532247

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Available files

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