Vitas-M small molecule compound

1-benzoxepin-4-yl(3,4-dihydroisoquinolin-2(1H)-yl)methanone

Catalog ID
STK865030
SMILES O=C(C1=Cc2ccccc2OC=C1)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 C20H17NO2 MW 303.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO2/c22-20(21-11-9-15-5-1-2-7-18(15)14-21)17-10-12-23-19-8-4-3-6-16(19)13-17/h1-8,10,12-13H,9,11,14H2
InChIKey
IQNZWVNWDFUYIX-UHFFFAOYSA-N
Synonyms
950379-91-6
1benzoxepin4yl(34dihydro1Hisoquinolin2yl)methanone
1benzoxepin4yl(34dihydroisoquinolin2(1H)yl)methanone
950379916
BENZO(B)OXEPIN4YL(34DIHYDROISOQUINOLIN2(1H)YL)METHANONE
C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=CC=CC=C4OC=C3
InChI=1SC20H17NO2c2220(2111915512718(15)1421)1710122319843616(19)1317h18101213H91114H2
MFCD10082118
ZINC000012274546
ZINC12274546

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Available files

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