Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Catalog ID
STL477545
SMILES CCC12CN3CC(C2=O)(CN(C1)C3c1ccc2c(c1)OCO2)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 C18H22N2O3 MW 314.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O3/c1-3-18-9-19-7-17(2,16(18)21)8-20(10-18)15(19)12-4-5-13-14(6-12)23-11-22-13/h4-6,15H,3,7-11H2,1-2H3InChIKey
SGDUHGKKJBGGES-UHFFFAOYSA-NSynonyms
(1S5S7R)2(benzo(d)(13)dioxol5yl)5ethyl7methyl13diazaadamantan6one
2(13benzodioxol5yl)5ethyl7methyl13diazatricyclo(3311~37~)decan6one
CC(C@)12CN3C(C@@)(C2=O)(CN(C1)C3c1ccc2c(c1)OCO2)C
CCC12CN3CC(C1=O)(CN(C2)C3C4=CC5=C(C=C4)OCO5)C
InChI=1SC18H22N2O3c1318919717(216(18)21)820(1018)15(19)12451314(612)23112213h4615H3711H212H3
MFCD03003846
ZINC000019323560
ZINC19323560
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