Vitas-M small molecule compound

8-(decylsulfanyl)-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK085070
SMILES CCCCCCCCCCSc1nc2c(n1CCc1ccccc1)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 C24H34N4O2S MW 442.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H34N4O2S/c1-3-4-5-6-7-8-9-13-18-31-24-25-21-20(22(29)26-23(30)27(21)2)28(24)17-16-19-14-11-10-12-15-19/h10-12,14-15H,3-9,13,16-18H2,1-2H3,(H,26,29,30)
InChIKey
UDFZSPDGBLZOIT-UHFFFAOYSA-N
Synonyms
332149-74-3
332149743
8(DECYLSULFANYL)3METHYL7(2PHENYLETHYL)37DIHYDRO1HPURINE26DIONE
8(decylthio)3methyl7phenethyl1Hpurine26(3H7H)dione
8decylsulfanyl3methyl7(2phenylethyl)purine26dione
8DECYLSULFANYL3METHYL7PHENETHYL37DIHYDROPURINE26DIONE
8DECYLSULFANYL3METHYL7PHENETHYLPURINE26DIONE
8DECYLTHIO3METHYL7(2PHENYLETHYL)137TRIHYDROPURINE26DIONE
CCCCCCCCCCSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C
CCCCCCCCCCSc1nc2c(n1CCc1ccccc1)c(=O)(nH)c(=O)n2C
InChI=1SC24H34N4O2Sc1345678913183124252120(22(29)2623(30)27(21)2)28(24)171619141110121519h10121415H39131618H212H3(H262930)
MFCD01142775
STK085070
ZINC000097950734
ZINC97950734

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Available files

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