Vitas-M small molecule compound
3-[(5s,7s)-2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-5,7-dimethyl-6-oxo-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl]propanenitrile
Catalog ID
STL537969
SMILES N#CCCC1(N2C[C@]3(CN1C[C@@](C2)(C3=O)C)C)C1CCOC(C1)(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 C20H31N3O2 MW 345.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H31N3O2/c1-17(2)10-15(6-9-25-17)20(7-5-8-21)22-11-18(3)12-23(20)14-19(4,13-22)16(18)24/h15H,5-7,9-14H2,1-4H3/t15?,18-,19+,20?InChIKey
ZJCXUZCIRCPUPB-LGMBCPCJSA-NSynonyms
3((1r5R7S)2(22dimethyltetrahydro2Hpyran4yl)57dimethyl6oxo13diazaadamantan2yl)propanenitrile
3((5s7s)2(22dimethyltetrahydro2Hpyran4yl)57dimethyl6oxo13diazatricyclo(3311~37~)dec2yl)propanenitrile
InChI=1SC20H31N3O2c117(2)1015(692517)20(75821)221118(3)1223(20)1419(41322)16(18)24h15H57914H214H3t15?1819+20?
N#CCCC1(N2C(C@)3(CN1C(C@@)(C2)(C3=O)C)C)C1CCOC(C1)(C)C
ZINC000019330049
ZINC000019330052
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