Vitas-M small molecule compound
3-cyano-1-(2-ethoxy-2-oxoethyl)-3-hydroxy-1-azoniabicyclo[2.2.2]octane
Catalog ID
STL059385
SMILES CCOC(=O)C[N+]12CCC(CC1)C(C2)(O)C#N
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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 C12H19N2O3 MW 239.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H19N2O3/c1-2-17-11(15)7-14-5-3-10(4-6-14)12(16,8-13)9-14/h10,16H,2-7,9H2,1H3/q+1InChIKey
RLNMVDFUWJJZBW-UHFFFAOYSA-NSynonyms
(1r4r)3cyano1(2ethoxy2oxoethyl)3hydroxyquinuclidin1iumbromide
3cyano1(2ethoxy2oxoethyl)3hydroxy1azoniabicyclo(222)octane
CCOC(=O)C(N@+)12CC(C@H)(CC1)C(C2)(O)C#N(Br)
CCOC(=O)C(N+)12CCC(CC1)C(C2)(C#N)O
CCOC(=O)C(N+)12CCC(CC1)C(C2)(O)C#N
ETHYL2(3CYANO3HYDROXY1AZONIABICYCLO(222)OCTAN1YL)ACETATE
InChI=1SC12H19N2O3c121711(15)7145310(4614)12(16813)914h1016H279H21H3q+1
ZINC000097951468
ZINC000097951469
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