Vitas-M small molecule compound

4-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one

Catalog ID
STL564800
SMILES COc1ccc(cc1)/C=C/C(=O)c1c(=O)[nH]c(c2c1CCCC2)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 C20H21NO3 MW 323.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO3/c1-13-16-5-3-4-6-17(16)19(20(23)21-13)18(22)12-9-14-7-10-15(24-2)11-8-14/h7-12H,3-6H2,1-2H3,(H,21,23)/b12-9+
InChIKey
CGVSMYHKXVNCGP-FMIVXFBMSA-N
Synonyms
376376-77-1
(E)4(3(4methoxyphenyl)acryloyl)1methyl5678tetrahydroisoquinolin3(2H)one
376376771
4((2E)3(4methoxyphenyl)prop2enoyl)1methyl5678tetrahydroisoquinolin3(2H)one
4((E)3(4methoxyphenyl)prop2enoyl)1methyl5678tetrahydro2Hisoquinolin3one
5339343
COc1ccc(cc1)C=CC(=O)c1c(=O)(nH)c(c2c1CCCC2)C
InChI=1SC20H21NO3c11316534617(16)19(20(23)2113)18(22)1291471015(242)11814h712H36H212H3(H2123)b129+
MFCD00815896
ZINC000003984161

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Available files

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