Vitas-M small molecule compound
3-[(E)-2-(2-cyanophenyl)ethenyl]-4,4-diethyl-3-hydroxy-2-oxomorpholin-4-ium
Catalog ID
STL147254
SMILES N#Cc1ccccc1/C=C/C1(O)C(=O)OCC[N+]1(CC)CC
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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 C17H21N2O3 MW 301.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N2O3/c1-3-19(4-2)11-12-22-16(20)17(19,21)10-9-14-7-5-6-8-15(14)13-18/h5-10,21H,3-4,11-12H2,1-2H3/q+1/b10-9+InChIKey
VNJDMDBJKNTXSG-MDZDMXLPSA-NSynonyms
(E)3(2cyanostyryl)44diethyl3hydroxy2oxomorpholin4iumbromide
2((E)2(44DIETHYL3HYDROXY2OXOMORPHOLIN4IUM3YL)ETHENYL)BENZONITRILE
3((E)2(2cyanophenyl)ethenyl)44diethyl3hydroxy2oxomorpholin4ium
CC(N+)1(CCOC(=O)C1(C=CC2=CC=CC=C2C#N)O)CC
InChI=1SC17H21N2O3c1319(42)11122216(20)17(1921)10914756815(14)1318h51021H341112H212H3q+1b109+
MFCD03666664
N#Cc1ccccc1C=CC1(O)C(=O)OCC(N+)1(CC)CC
N#Cc1ccccc1C=CC1(O)C(=O)OCC(N+)1(CC)CC(Br)
ZINC000001814070
ZINC000001814071
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