Vitas-M small molecule compound
1-[4-(cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate
Catalog ID
STK686574
SMILES N#CCc1ccc(cc1)[NH+]1CCC(=C2C1CCCC2)[O-]
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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 C17H20N2O MW 268.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O/c18-11-9-13-5-7-14(8-6-13)19-12-10-17(20)15-3-1-2-4-16(15)19/h5-8,16,20H,1-4,9-10,12H2InChIKey
YGYPQKZAWAUTIU-UHFFFAOYSA-NSynonyms
1305261-70-41(4(cyanomethyl)phenyl)12356788aoctahydroquinolinium4olate
1305261704
2(4(4hydroxy356788ahexahydro2Hquinolin1yl)phenyl)acetonitrile
2(4(5HYDROXY2AZABICYCLO(440)DEC5EN2YL)PHENYL)ETHANENITRILE
C1CCC2=C(CCN(C2C1)C3=CC=C(C=C3)CC#N)O
InChI=1SC17H20N2Oc18119135714(8613)19121017(20)15312416(15)19h581620H1491012H2
MFCD08141956
N#CCc1ccc(cc1)(NH+)1CCC(=C2C1CCCC2)(O)
ZINC000100018666
ZINC000100018670
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