Vitas-M small molecule compound

6,7-diethoxy-2-(4-methylphenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one

Catalog ID
STK844009
SMILES CCOc1cc2c(cc1OCC)CC(=O)N(C2c1ccccc1)c1ccc(cc1)C

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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 C26H27NO3 MW 401.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO3/c1-4-29-23-15-20-16-25(28)27(21-13-11-18(3)12-14-21)26(19-9-7-6-8-10-19)22(20)17-24(23)30-5-2/h6-15,17,26H,4-5,16H2,1-3H3
InChIKey
AYOUWPQWMQEEMZ-UHFFFAOYSA-N
Synonyms
799819-88-8
(1R)67DIETHOXY2(4METHYLPHENYL)1PHENYL14DIHYDROISOQUINOLIN3(2H)ONE
(1S)67DIETHOXY2(4METHYLPHENYL)1PHENYL14DIHYDROISOQUINOLIN3(2H)ONE
67diethoxy1phenyl2(ptolyl)12dihydroisoquinolin3(4H)one
67diethoxy2(4methylphenyl)1phenyl14dihydroisoquinolin3(2H)one
67DIETHOXY2(4METHYLPHENYL)1PHENYL14DIHYDROISOQUINOLIN3ONE
799819888
CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C)C4=CC=CC=C4)OCC
InChI=1SC26H27NO3c14292315201625(28)27(21131118(3)121421)26(1997681019)22(20)1724(23)3052h6151726H4516H213H3
MFCD03681979
ZINC000002235474
ZINC000002235476

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Available files

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