Vitas-M small molecule compound
2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]ethanone
Catalog ID
STK688909
SMILES CSCCc1[nH]c(nc1C)SCC(=O)N1CCN(CC1)C12CC3CC(C2)CC(C1)C3
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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 C23H36N4OS2 MW 448.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H36N4OS2/c1-16-20(3-8-29-2)25-22(24-16)30-15-21(28)26-4-6-27(7-5-26)23-12-17-9-18(13-23)11-19(10-17)14-23/h17-19H,3-15H2,1-2H3,(H,24,25)InChIKey
GACJRCFVPPWUKA-UHFFFAOYSA-NSynonyms
1(4(1ADAMANTYL)PIPERAZIN1YL)2((5METHYL4(2METHYLSULFANYLETHYL)1HIMIDAZOL2YL)SULFANYL)ETHANONE
1(4ADAMANTANYLPIPERAZINYL)2(4METHYL5(2METHYLTHIOETHYL)IMIDAZOL2YLTHIO)ETHAN1ONE
2((4methyl5(2(methylsulfanyl)ethyl)1Himidazol2yl)sulfanyl)1(4(tricyclo(3311~37~)dec1yl)piperazin1yl)ethanone
CC1=C(N=C(N1)SCC(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4)CCSC
CSCCc1(nH)c(nc1C)SCC(=O)N1CCN(CC1)C12CC3CC(C2)CC(C1)C3
InChI=1SC23H36N4OS2c11620(38292)2522(2416)301521(28)264627(7526)231217918(1323)1119(1017)1423h1719H315H212H3(H2425)
MFCD07658968
ZINC000012372034
ZINC12372034
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