Vitas-M small molecule compound
7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK061451
SMILES CCCCCCCCCCCCSc1nc2c(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 C25H35ClN4O2S MW 491.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35ClN4O2S/c1-3-4-5-6-7-8-9-10-11-12-17-33-25-27-22-21(23(31)28-24(32)29(22)2)30(25)18-19-13-15-20(26)16-14-19/h13-16H,3-12,17-18H2,1-2H3,(H,28,31,32)InChIKey
SDMAXARYBIFTEC-UHFFFAOYSA-NSynonyms
331839-75-9331839759
7((4CHLOROPHENYL)METHYL)8DODECYLSULFANYL3METHYLPURINE26DIONE
7(4CHLOROBENZYL)8(DODECYLSULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7(4chlorobenzyl)8(dodecylthio)3methyl1Hpurine26(3H7H)dione
7(4CHLOROBENZYL)8DODECYLSULFANYL3METHYL37DIHYDROPURINE26DIONE
CCCCCCCCCCCCSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C
CCCCCCCCCCCCSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)(nH)c(=O)n2C
InChI=1SC25H35ClN4O2Sc13456789101112173325272221(23(31)2824(32)29(22)2)30(25)1819131520(26)161419h1316H3121718H212H3(H283132)
MFCD01051138
STK061451
ZINC000008424593
ZINC08424593
ZINC8424593
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