Vitas-M small molecule compound

2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]ethanone

Catalog ID
STK688623
SMILES CCCCc1[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 C24H38N4OS MW 430.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H38N4OS/c1-3-4-5-21-17(2)25-23(26-21)30-16-22(29)27-6-8-28(9-7-27)24-13-18-10-19(14-24)12-20(11-18)15-24/h18-20H,3-16H2,1-2H3,(H,25,26)
InChIKey
VSARXFAGNRLFNO-UHFFFAOYSA-N
Synonyms
1(4(1ADAMANTYL)PIPERAZIN1YL)2((4BUTYL5METHYL1HIMIDAZOL2YL)SULFANYL)ETHANONE
2((5butyl4methyl1Himidazol2yl)sulfanyl)1(4(tricyclo(3311~37~)dec1yl)piperazin1yl)ethanone
CCCCc1(nH)c(nc1C)SCC(=O)N1CCN(CC1)C12CC3CC(C2)CC(C1)C3
CCCCC1=C(NC(=N1)SCC(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4)C
Registry IDs
MFCD07657913
ZINC000004629790
ZINC4629790

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.