Vitas-M small molecule compound

7-(4-chlorobenzyl)-3-methyl-8-(nonylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK096643
SMILES CCCCCCCCCSc1nc2c(n1Cc1ccc(cc1)Cl)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 C22H29ClN4O2S MW 449.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29ClN4O2S/c1-3-4-5-6-7-8-9-14-30-22-24-19-18(20(28)25-21(29)26(19)2)27(22)15-16-10-12-17(23)13-11-16/h10-13H,3-9,14-15H2,1-2H3,(H,25,28,29)
InChIKey
XZECUOQSVAWMFL-UHFFFAOYSA-N
Synonyms
369604-48-8
369604488
7((4CHLOROPHENYL)METHYL)3METHYL8NONYLSULFANYLPURINE26DIONE
7((4CHLOROPHENYL)METHYL)3METHYL8NONYLTHIO137TRIHYDROPURINE26DIONE
7(4CHLOROBENZYL)3METHYL8(NONYLSULFANYL)37DIHYDRO1HPURINE26DIONE
7(4chlorobenzyl)3methyl8(nonylthio)1Hpurine26(3H7H)dione
7(4CHLOROBENZYL)3METHYL8NONYLSULFANYL37DIHYDROPURINE26DIONE
CCCCCCCCCSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C
CCCCCCCCCSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)(nH)c(=O)n2C
InChI=1SC22H29ClN4O2Sc13456789143022241918(20(28)2521(29)26(19)2)27(22)1516101217(23)131116h1013H391415H212H3(H252829)
MFCD01032134
STK096643
ZINC000002346936
ZINC2346936

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Available files

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