Vitas-M small molecule compound

1-[1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbutan-1-one

Catalog ID
STK764466
SMILES COc1cc2CCN(C(c2cc1OC)c1cc(Br)ccc1F)C(=O)CC(C)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 C22H25BrFNO3 MW 450.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25BrFNO3/c1-13(2)9-21(26)25-8-7-14-10-19(27-3)20(28-4)12-16(14)22(25)17-11-15(23)5-6-18(17)24/h5-6,10-13,22H,7-9H2,1-4H3
InChIKey
CTVYKJDUDDRTPJ-UHFFFAOYSA-N
Synonyms

1(1(5BROMO2FLUOROPHENYL)67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)3METHYLBUTAN1ONE
1(1(5bromo2fluorophenyl)67dimethoxy34dihydroisoquinolin2(1H)yl)3methylbutan1one
CC(C)CC(=O)N1CCC2=CC(=C(C=C2C1C3=C(C=CC(=C3)Br)F)OC)OC
InChI=1SC22H25BrFNO3c113(2)921(26)2587141019(273)20(284)1216(14)22(25)171115(23)5618(17)24h56101322H79H214H3
MFCD02932883
ZINC000001089457
ZINC000001089458

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Available files

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