Vitas-M small molecule compound

{4-[5-(3,4-dihydroisoquinolin-2(1H)-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}(3-fluorophenyl)methanone

Catalog ID
STK780458
SMILES Fc1cccc(c1)C(=O)N1CCN(CC1)c1cc(N2CCc3c(C2)cccc3)c(cc1[N+](=O)[O-])F

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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 C26H24F2N4O3 MW 478.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24F2N4O3/c27-21-7-3-6-19(14-21)26(33)30-12-10-29(11-13-30)24-16-23(22(28)15-25(24)32(34)35)31-9-8-18-4-1-2-5-20(18)17-31/h1-7,14-16H,8-13,17H2
InChIKey
WRFANHGFSHYBAH-UHFFFAOYSA-N
Synonyms

(4(5(34DIHYDRO1HISOQUINOLIN2YL)4FLUORO2NITROPHENYL)PIPERAZIN1YL)(3FLUOROPHENYL)METHANONE
(4(5(34dihydroisoquinolin2(1H)yl)4fluoro2nitrophenyl)piperazin1yl)(3fluorophenyl)methanone
C1CN(CC2=CC=CC=C21)C3=C(C=C(C(=C3)N4CCN(CC4)C(=O)C5=CC(=CC=C5)F)(N+)(=O)(O))F
Fc1cccc(c1)C(=O)N1CCN(CC1)c1cc(N2CCc3c(C2)cccc3)c(cc1(N+)(=O)(O))F
InChI=1SC26H24F2N4O3c272173619(1421)26(33)30121029(111330)241623(22(28)1525(24)32(34)35)319818412520(18)1731h171416H81317H2
MFCD05860420
ZINC000012377446
ZINC12377446

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Available files

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