Vitas-M small molecule compound
(2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-(4-ethoxynaphthalen-1-yl)prop-2-enenitrile
Catalog ID
STL367595
SMILES CCOc1ccc(c2c1cccc2)/C=C(/C(=O)N1CCc2c(C1)cccc2)\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 C25H22N2O2 MW 382.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O2/c1-2-29-24-12-11-19(22-9-5-6-10-23(22)24)15-21(16-26)25(28)27-14-13-18-7-3-4-8-20(18)17-27/h3-12,15H,2,13-14,17H2,1H3/b21-15+InChIKey
AGARXFHCFPWKRK-RCCKNPSSSA-NSynonyms
(2E)2(34dihydroisoquinolin2(1H)ylcarbonyl)3(4ethoxynaphthalen1yl)prop2enenitrile
(E)2(34dihydro1Hisoquinoline2carbonyl)3(4ethoxynaphthalen1yl)prop2enenitrile
CCOC1=CC=C(C2=CC=CC=C21)C=C(C#N)C(=O)N3CCC4=CC=CC=C4C3
CCOc1ccc(c2c1cccc2)C=C(C(=O)N1CCc2c(C1)cccc2)C#N
InChI=1SC25H22N2O2c122924121119(229561023(22)24)1521(1626)25(28)27141318734820(18)1727h31215H2131417H21H3b2115+
MFCD02819822
ZINC000098086333
ZINC98086333
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