Vitas-M small molecule compound

[6-bromo-2-(4-butylphenyl)quinolin-4-yl](4-butylpiperazin-1-yl)methanone

Catalog ID
STK481028
SMILES CCCCN1CCN(CC1)C(=O)c1cc(nc2c1cc(Br)cc2)c1ccc(cc1)CCCC

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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 C28H34BrN3O MW 508.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34BrN3O/c1-3-5-7-21-8-10-22(11-9-21)27-20-25(24-19-23(29)12-13-26(24)30-27)28(33)32-17-15-31(16-18-32)14-6-4-2/h8-13,19-20H,3-7,14-18H2,1-2H3
InChIKey
WCZJSVCQYMZIJK-UHFFFAOYSA-N
Synonyms

(6bromo2(4butylphenyl)quinolin4yl)(4butylpiperazin1yl)methanone
6BROMO2(4BUTYLPHENYL)(4QUINOLYL)4BUTYLPIPERAZINYLKETONE
CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CCCC
InChI=1SC28H34BrN3Oc13572181022(11921)272025(241923(29)121326(24)3027)28(33)32171531(161832)14642h8131920H371418H212H3
MFCD08569576
ZINC000013321659
ZINC13321659

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Available files

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