Vitas-M small molecule compound
(2E)-3-(3-bromo-4-methoxyphenyl)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)prop-2-enenitrile
Catalog ID
STL367596
SMILES N#C/C(=C\c1ccc(c(c1)Br)OC)/C(=O)N1CCc2c(C1)cccc2
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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 C20H17BrN2O2 MW 397.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O2/c1-25-19-7-6-14(11-18(19)21)10-17(12-22)20(24)23-9-8-15-4-2-3-5-16(15)13-23/h2-7,10-11H,8-9,13H2,1H3/b17-10+InChIKey
BYVZDRCYLALQSB-LICLKQGHSA-NSynonyms
(2E)3(3bromo4methoxyphenyl)2(34dihydroisoquinolin2(1H)ylcarbonyl)prop2enenitrile
(E)3(3bromo4methoxyphenyl)2(34dihydro1Hisoquinoline2carbonyl)prop2enenitrile
COC1=C(C=C(C=C1)C=C(C#N)C(=O)N2CCC3=CC=CC=C3C2)Br
InChI=1SC20H17BrN2O2c125197614(1118(19)21)1017(1222)20(24)239815423516(15)1323h271011H8913H21H3b1710+
MFCD02819809
N#CC(=Cc1ccc(c(c1)Br)OC)C(=O)N1CCc2c(C1)cccc2
ZINC000098086334
ZINC98086334
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