Vitas-M small molecule compound

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

Catalog ID
STK762045
SMILES CCCCCCCCCCCCSc1nc2c(n1CCOC)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 C21H36N4O3S MW 424.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H36N4O3S/c1-4-5-6-7-8-9-10-11-12-13-16-29-21-22-18-17(25(21)14-15-28-3)19(26)23-20(27)24(18)2/h4-16H2,1-3H3,(H,23,26,27)
InChIKey
WSLKSEYBXLFYTN-UHFFFAOYSA-N
Synonyms
296244-46-7
8(dodecylsulfanyl)7(2methoxyethyl)3methyl37dihydro1Hpurine26dione
8(dodecylthio)7(2methoxyethyl)3methyl1Hpurine26(3H7H)dione
8DODECYLSULFANYL7(2METHOXYETHYL)3METHYL37DIHYDROPURINE26DIONE
8DODECYLSULFANYL7(2METHOXYETHYL)3METHYLPURINE26DIONE
CCCCCCCCCCCCSc1nc2c(n1CCOC)c(=O)(nH)c(=O)n2C
MFCD01872585
ZINC96019756

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Available files

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