Vitas-M small molecule compound
7-(3-bromobenzyl)-8-[(4-chlorobutyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK527714
SMILES ClCCCCSc1nc2c(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 C17H18BrClN4O2S MW 457.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18BrClN4O2S/c1-22-14-13(15(24)21-16(22)25)23(10-11-5-4-6-12(18)9-11)17(20-14)26-8-3-2-7-19/h4-6,9H,2-3,7-8,10H2,1H3,(H,21,24,25)InChIKey
QHKIEYSZJOISBX-UHFFFAOYSA-NSynonyms
331726-00-2331726002
7((3BROMOPHENYL)METHYL)8(4CHLOROBUTYLSULFANYL)3METHYLPURINE26DIONE
7((3BROMOPHENYL)METHYL)8(4CHLOROBUTYLTHIO)3METHYL137TRIHYDROPURINE26DIONE
7(3bromobenzyl)8((4chlorobutyl)sulfanyl)3methyl37dihydro1Hpurine26dione
7(3bromobenzyl)8((4chlorobutyl)thio)3methyl1Hpurine26(3H7H)dione
ClCCCCSc1nc2c(n1Cc1cccc(c1)Br)c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCCCl)CC3=CC(=CC=C3)Br
InChI=1SC17H18BrClN4O2Sc1221413(15(24)2116(22)25)23(101154612(18)911)17(2014)26832719h469H237810H21H3(H212425)
MFCD01079267
ZINC000013231940
ZINC13231940
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