Vitas-M small molecule compound

3-[4-(4-cyclohexylpiperazin-1-yl)but-2-yn-1-yl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione

Catalog ID
STK528594
SMILES O=C1N(CC#CCN2CCN(CC2)C2CCCCC2)C(=O)C2(C(C1CC2)(C)C)C

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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 C24H37N3O2 MW 399.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H37N3O2/c1-23(2)20-11-12-24(23,3)22(29)27(21(20)28)14-8-7-13-25-15-17-26(18-16-25)19-9-5-4-6-10-19/h19-20H,4-6,9-18H2,1-3H3
InChIKey
OFYIZRQERTTYDL-UHFFFAOYSA-N
Synonyms

(1R5S)3(4(4CYCLOHEXYLPIPERAZIN1YL)BUT2YN1YL)188TRIMETHYL3AZABICYCLO(321)OCTANE24DIONE
(1S5R)3(4(4CYCLOHEXYLPIPERAZIN1YL)BUT2YN1YL)188TRIMETHYL3AZABICYCLO(321)OCTANE24DIONE
(S)3(4(4cyclohexylpiperazin1yl)but2yn1yl)188trimethyl3azabicyclo(321)octane24dionedihydrochloride
3(4(4cyclohexylpiperazin1yl)but2yn1yl)188trimethyl3azabicyclo(321)octane24dione
3(4(4CYCLOHEXYLPIPERAZIN1YL)BUT2YNYL)588TRIMETHYL3AZABICYCLO(321)OCTANE24DIONE
CC1(C2CCC1(C(=O)N(C2=O)CC#CCN3CCN(CC3)C4CCCCC4)C)C
InChI=1SC24H37N3O2c123(2)20111224(233)22(29)27(21(20)28)14871325151726(181625)1995461019h1920H46918H213H3
MFCD01876523
O=C1N(CC#CCN2CCN(CC2)C2CCCCC2)C(=O)C2(C(C1CC2)(C)C)CClCl
ZINC000019367646

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Available files

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