Vitas-M small molecule compound

(4-bromophenyl)(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone

Catalog ID
STK599749
SMILES Brc1ccc(cc1)C(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1

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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 C20H20BrNO3 MW 402.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrNO3/c1-13-17-12-19-18(24-9-2-10-25-19)11-15(17)7-8-22(13)20(23)14-3-5-16(21)6-4-14/h3-6,11-13H,2,7-10H2,1H3
InChIKey
KOKJLCFIBUUHDN-UHFFFAOYSA-N
Synonyms
883953-53-5
(4bromophenyl)(7methyl2347910hexahydro(14)dioxepino(23g)isoquinolin8yl)methanone
(4bromophenyl)(7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)methanone
883953535
CC1C2=CC3=C(C=C2CCN1C(=O)C4=CC=C(C=C4)Br)OCCCO3
InChI=1SC20H20BrNO3c11317121918(2492102519)1115(17)7822(13)20(23)143516(21)6414h361113H2710H21H3
MFCD07639270
ZINC000005426413
ZINC000005426423

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Available files

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