Vitas-M small molecule compound

2-(2-phenylethyl)-3a,4,9,9a-tetrahydro-1H-4,9-ethanobenzo[f]isoindole-1,3,10(2H)-trione

Catalog ID
STK838260
SMILES O=C1C2C(C(=O)N1CCc1ccccc1)C1CC(=O)C2c2c1cccc2

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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 C22H19NO3 MW 345.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO3/c24-17-12-16-14-8-4-5-9-15(14)18(17)20-19(16)21(25)23(22(20)26)11-10-13-6-2-1-3-7-13/h1-9,16,18-20H,10-12H2
InChIKey
IKFTUWICNDCDAF-UHFFFAOYSA-N
Synonyms

(3aS4R9S9aR)2phenethyl3a499atetrahydro1H49ethanobenzo(f)isoindole1310(2H)trione
2(2phenylethyl)3a499atetrahydro1H49ethanobenzo(f)isoindole1310(2H)trione
C1C2C3C(C(C1=O)C4=CC=CC=C24)C(=O)N(C3=O)CCC5=CC=CC=C5
InChI=1SC22H19NO3c2417121614845915(14)18(17)2019(16)21(25)23(22(20)26)1110136213713h19161820H1012H2
MFCD00684693
ZINC000104320378
ZINC000239310424

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.