Vitas-M small molecule compound

2-phenyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

Catalog ID
STL512161
SMILES CC(C12CN3CC(C2=O)(CN(C1)C3c1ccccc1)C(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 C20H28N2O MW 312.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O/c1-14(2)19-10-21-12-20(15(3)4,18(19)23)13-22(11-19)17(21)16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3
InChIKey
WDWOPAHCFHDPTP-UHFFFAOYSA-N
Synonyms
398132-61-1
(1r5R7S)57diisopropyl2phenyl13diazaadamantan6one
2phenyl57di(propan2yl)13diazatricyclo(3311^(37))decan6one
2phenyl57di(propan2yl)13diazatricyclo(3311~37~)decan6one
398132611
886752
CC((C@)12CN3C(C@@)(C2=O)(CN(C1)C3c1ccccc1)C(C)C)C
InChI=1SC20H28N2Oc114(2)1910211220(15(3)418(19)23)1322(1119)17(21)168657916h59141517H1013H214H3
MFCD02029983
ZINC000019323080
ZINC19323080

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Available files

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