Vitas-M small molecule compound

[2-(3,4-dimethylphenyl)quinolin-4-yl][4-(4-fluorophenyl)piperazin-1-yl]methanone

Catalog ID
STK443231
SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(nc2c1cccc2)c1ccc(c(c1)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 C28H26FN3O MW 439.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26FN3O/c1-19-7-8-21(17-20(19)2)27-18-25(24-5-3-4-6-26(24)30-27)28(33)32-15-13-31(14-16-32)23-11-9-22(29)10-12-23/h3-12,17-18H,13-16H2,1-2H3
InChIKey
AJMNBUAFERHSGH-UHFFFAOYSA-N
Synonyms

(2(34dimethylphenyl)quinolin4yl)(4(4fluorophenyl)piperazin1yl)methanone
2(34DIMETHYLPHENYL)(4QUINOLYL)4(4FLUOROPHENYL)PIPERAZINYLKETONE
CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F)C
InChI=1SC28H26FN3Oc1197821(1720(19)2)271825(24534626(24)3027)28(33)32151331(141632)2311922(29)101223h3121718H1316H212H3
MFCD01921312
ZINC000019629992
ZINC19629992

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Available files

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