Vitas-M small molecule compound

3-[4-(6-hydroxy-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]propanenitrile

Catalog ID
STK524032
SMILES N#CCCC1(CCOC(C1)(C)C)C1N2CC3(CN1CC(C2)(C3O)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 C20H33N3O2 MW 347.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H33N3O2/c1-17(2)10-20(6-5-8-21,7-9-25-17)16-22-11-18(3)12-23(16)14-19(4,13-22)15(18)24/h15-16,24H,5-7,9-14H2,1-4H3
InChIKey
ZIFJKFKHHJEKHG-UHFFFAOYSA-N
Synonyms
1212486-09-3
1212486093
3(4((1r5R6s7S)6hydroxy57dimethyl13diazaadamantan2yl)22dimethyltetrahydro2Hpyran4yl)propanenitrile
3(4(6hydroxy57dimethyl13diazatricyclo(3311~37~)dec2yl)22dimethyltetrahydro2Hpyran4yl)propanenitrile
CC1(CC(CCO1)(CCC#N)C2N3CC4(CN2CC(C3)(C4O)C)C)C
InChI=1SC20H33N3O2c117(2)1020(65821792517)16221118(3)1223(16)1419(41322)15(18)24h151624H57914H214H3
MFCD12035024
N#CCCC1(CCOC(C1)(C)C)C1N2C(C@)3(CN1C(C@@)(C2)((C@H)3O)C)C
ZINC000019331538
ZINC000019331541

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Available files

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