Vitas-M small molecule compound

5-butyl-2-(3,4-dimethoxyphenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

Catalog ID
STK684916
SMILES CCCCC12CN3CC(C2=O)(CN(C1)C3c1ccc(c(c1)OC)OC)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 C21H30N2O3 MW 358.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N2O3/c1-5-6-9-21-13-22-11-20(2,19(21)24)12-23(14-21)18(22)15-7-8-16(25-3)17(10-15)26-4/h7-8,10,18H,5-6,9,11-14H2,1-4H3
InChIKey
UETSYENZJVRZKV-UHFFFAOYSA-N
Synonyms
956050-41-2
(5s7s)5butyl2(34dimethoxyphenyl)7methyl13diazaadamantan6one
5butyl2(34dimethoxyphenyl)7methyl13diazatricyclo(3311~37~)decan6one
956050412
CCCC(C@)12CN3C(C@@)(C2=O)(CN(C1)C3c1ccc(c(c1)OC)OC)C
CCCCC12CN3CC(C1=O)(CN(C2)C3C4=CC(=C(C=C4)OC)OC)C
InChI=1SC21H30N2O3c15692113221120(219(21)24)1223(1421)18(22)157816(253)17(1015)264h781018H5691114H214H3
MFCD05856558
ZINC000019320105
ZINC19320105

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Available files

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