Vitas-M small molecule compound

2-(4-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

Catalog ID
STK771842
SMILES CCCC12CN3CC(C2=O)(CN(C1)C3c1ccc(cc1)Cl)CCC

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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 C20H27ClN2O MW 346.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27ClN2O/c1-3-9-19-11-22-13-20(10-4-2,18(19)24)14-23(12-19)17(22)15-5-7-16(21)8-6-15/h5-8,17H,3-4,9-14H2,1-2H3
InChIKey
ZBQQIPKCOZHQCP-UHFFFAOYSA-N
Synonyms
681839-46-3
(1R3S5r7r)2(4chlorophenyl)57dipropyl13diazaadamantan6one
2(4chlorophenyl)57dipropyl13diazatricyclo(3311~37~)decan6one
681839463
CCCC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)Cl)CCC
InChI=1SC20H27ClN2Oc1391911221320(104218(19)24)1423(1219)17(22)155716(21)8615h5817H34914H212H3
MFCD03674983
ZINC000019324062
ZINC19324062

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Available files

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