Vitas-M small molecule compound

7-(2-chlorobenzyl)-1,3-dimethyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK537522
SMILES CCCCCCCCSc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C

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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/c1-4-5-6-7-8-11-14-30-21-24-19-18(20(28)26(3)22(29)25(19)2)27(21)15-16-12-9-10-13-17(16)23/h9-10,12-13H,4-8,11,14-15H2,1-3H3
InChIKey
QYYYEQHPABAALE-UHFFFAOYSA-N
Synonyms
373375-42-9
373375429
7((2CHLOROPHENYL)METHYL)13DIMETHYL8OCTYLSULFANYLPURINE26DIONE
7((2CHLOROPHENYL)METHYL)13DIMETHYL8OCTYLTHIO137TRIHYDROPURINE26DIONE
7(2chlorobenzyl)13dimethyl8(octylsulfanyl)37dihydro1Hpurine26dione
7(2chlorobenzyl)13dimethyl8(octylthio)1Hpurine26(3H7H)dione
CCCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C
InChI=1SC22H29ClN4O2Sc14567811143021241918(20(28)26(3)22(29)25(19)2)27(21)1516129101317(16)23h9101213H48111415H213H3
MFCD01946425
ZINC000053289870
ZINC53289870

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Available files

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