Vitas-M small molecule compound

8-(dodecylsulfanyl)-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK063683
SMILES CCCCCCCCCCCCSc1nc2c(n1CCC)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 C21H36N4O2S MW 408.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H36N4O2S/c1-4-6-7-8-9-10-11-12-13-14-16-28-21-22-18-17(25(21)15-5-2)19(26)23-20(27)24(18)3/h4-16H2,1-3H3,(H,23,26,27)
InChIKey
XWJHWJOCKYWPER-UHFFFAOYSA-N
Synonyms
364740-99-8
364740998
8(DODECYLSULFANYL)3METHYL7PROPYL37DIHYDRO1HPURINE26DIONE
8(dodecylthio)3methyl7propyl1Hpurine26(3H7H)dione
8DODECYLSULFANYL3METHYL7PROPYLPURINE26DIONE
CCCCCCCCCCCCSC1=NC2=C(N1CCC)C(=O)NC(=O)N2C
CCCCCCCCCCCCSc1nc2c(n1CCC)c(=O)(nH)c(=O)n2C
InChI=1SC21H36N4O2Sc1467891011121314162821221817(25(21)1552)19(26)2320(27)24(18)3h416H213H3(H232627)
MFCD01032069
STK063683
ZINC000100683085
ZINC100683085

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Available files

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