Vitas-M small molecule compound
7-(3-bromobenzyl)-8-(hexylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK527515
SMILES CCCCCCSc1nc2c(n1Cc1cccc(c1)Br)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 C19H23BrN4O2S MW 451.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23BrN4O2S/c1-3-4-5-6-10-27-19-21-16-15(17(25)22-18(26)23(16)2)24(19)12-13-8-7-9-14(20)11-13/h7-9,11H,3-6,10,12H2,1-2H3,(H,22,25,26)InChIKey
KDDHRUNMONPVEF-UHFFFAOYSA-NSynonyms
331725-90-7331725907
7((3BROMOPHENYL)METHYL)8HEXYLSULFANYL3METHYLPURINE26DIONE
7(3bromobenzyl)8(hexylsulfanyl)3methyl37dihydro1Hpurine26dione
7(3bromobenzyl)8(hexylthio)3methyl1Hpurine26(3H7H)dione
7(3BROMOBENZYL)8HEXYLSULFANYL3METHYL37DIHYDROPURINE26DIONE
CCCCCCSC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C
CCCCCCSc1nc2c(n1Cc1cccc(c1)Br)c(=O)(nH)c(=O)n2C
InChI=1SC19H23BrN4O2Sc13456102719211615(17(25)2218(26)23(16)2)24(19)121387914(20)1113h7911H361012H212H3(H222526)
MFCD01079252
ZINC000013231937
ZINC13231937
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