Vitas-M small molecule compound
butyl 3-cyano-3-hydroxy-1-azabicyclo[2.2.2]octane-2-carboxylate
Catalog ID
STK522510
SMILES CCCCOC(=O)C1N2CCC(C1(O)C#N)CC2
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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 C13H20N2O3 MW 252.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H20N2O3/c1-2-3-8-18-12(16)11-13(17,9-14)10-4-6-15(11)7-5-10/h10-11,17H,2-8H2,1H3InChIKey
NYHNBIBTPQVROL-UHFFFAOYSA-NSynonyms
BICYCLO(222)OCTANE2CARBOXYLICACID3CYANO3HYDROXY1AZABUTYLESTER
butyl3cyano3hydroxy1azabicyclo(222)octane2carboxylate
BUTYL3CYANO3HYDROXYQUINUCLIDINE2CARBOXYLATE
CCCCOC(=O)C1C(C2CCN1CC2)(C#N)O
InChI=1SC13H20N2O3c12381812(16)1113(17914)104615(11)7510h101117H28H21H3
MFCD03767793
ZINC000029748791
ZINC000029748796
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