Vitas-M small molecule compound

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

Catalog ID
STL238586
SMILES CCCC12CN3CC(C2=O)(CN(C1)C3c1ccc2c(c1)OCO2)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 C21H28N2O3 MW 356.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O3/c1-3-7-20-10-22-12-21(8-4-2,19(20)24)13-23(11-20)18(22)15-5-6-16-17(9-15)26-14-25-16/h5-6,9,18H,3-4,7-8,10-14H2,1-2H3
InChIKey
MHMRQSNCSGEWHY-UHFFFAOYSA-N
Synonyms
685514-50-5
(1r5R7S)2(benzo(d)(13)dioxol5yl)57dipropyl13diazaadamantan6one
2(13benzodioxol5yl)57dipropyl13diazatricyclo(3311~37~)decan6one
685514505
CCC(C@)12CN3C(C@@)(C2=O)(CN(C1)C3c1ccc2c(c1)OCO2)CCC
CCCC12CN3CC(C1=O)(CN(C2)C3C4=CC5=C(C=C4)OCO5)CCC
InChI=1SC21H28N2O3c1372010221221(84219(20)24)1323(1120)18(22)15561617(915)26142516h56918H34781014H212H3
MFCD05026562
ZINC000019320267
ZINC19320267

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Available files

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