Vitas-M small molecule compound
8-(dodecylsulfanyl)-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK040532
SMILES CCCCCCCCCCCCSc1nc2c(n1Cc1ccc(cc1)C)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 C26H38N4O2S MW 470.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H38N4O2S/c1-4-5-6-7-8-9-10-11-12-13-18-33-26-27-23-22(24(31)28-25(32)29(23)3)30(26)19-21-16-14-20(2)15-17-21/h14-17H,4-13,18-19H2,1-3H3,(H,28,31,32)InChIKey
FEHHQKIFWAHPLZ-UHFFFAOYSA-NSynonyms
303969-95-1303969951
8(DODECYLSULFANYL)3METHYL7(4METHYLBENZYL)37DIHYDRO1HPURINE26DIONE
8(dodecylthio)3methyl7(4methylbenzyl)1Hpurine26(3H7H)dione
8DODECYLSULFANYL3METHYL7((4METHYLPHENYL)METHYL)PURINE26DIONE
CCCCCCCCCCCCSC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C
CCCCCCCCCCCCSc1nc2c(n1Cc1ccc(cc1)C)c(=O)(nH)c(=O)n2C
InChI=1SC26H38N4O2Sc145678910111213183326272322(24(31)2825(32)29(23)3)30(26)1921161420(2)151721h1417H4131819H213H3(H283132)
MFCD01553982
STK040532
ZINC000097949483
ZINC97949483
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