Vitas-M small molecule compound

8-[(4-chlorobenzyl)sulfanyl]-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK528690
SMILES CCCCCCCCCCCCCCCCn1c(SCc2ccc(cc2)Cl)nc2c1c(=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 C29H43ClN4O2S MW 547.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H43ClN4O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-34-25-26(33(2)28(36)32-27(25)35)31-29(34)37-22-23-17-19-24(30)20-18-23/h17-20H,3-16,21-22H2,1-2H3,(H,32,35,36)
InChIKey
JEHQHAXBRDPSNW-UHFFFAOYSA-N
Synonyms
327168-37-6
327168376
8((4chlorobenzyl)sulfanyl)7hexadecyl3methyl37dihydro1Hpurine26dione
8((4chlorobenzyl)thio)7hexadecyl3methyl1Hpurine26(3H7H)dione
8((4CHLOROPHENYL)METHYLSULFANYL)7HEXADECYL3METHYLPURINE26DIONE
8((4CHLOROPHENYL)METHYLTHIO)7HEXADECYL3METHYL137TRIHYDROPURINE26DIONE
8(4CHLOROBENZYLSULFANYL)7HEXADECYL3METHYL37DIHYDROPURINE26DIONE
CCCCCCCCCCCCCCCCn1c(SCc2ccc(cc2)Cl)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCCCCCCCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C
InChI=1SC29H43ClN4O2Sc134567891011121314151621342526(33(2)28(36)3227(25)35)3129(34)372223171924(30)201823h1720H3162122H212H3(H323536)
MFCD01051794
ZINC000008424651
ZINC08424651
ZINC8424651

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Available files

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