Vitas-M small molecule compound

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

Catalog ID
STK427551
SMILES O=C(c1cc(nc2c1cccc2)c1ccc(c(c1)C)C)N1CCN(CC1)Cc1ccccc1

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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 C29H29N3O MW 435.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O/c1-21-12-13-24(18-22(21)2)28-19-26(25-10-6-7-11-27(25)30-28)29(33)32-16-14-31(15-17-32)20-23-8-4-3-5-9-23/h3-13,18-19H,14-17,20H2,1-2H3
InChIKey
YEOWOZUMXQNNED-UHFFFAOYSA-N
Synonyms

(4benzylpiperazin1yl)(2(34dimethylphenyl)quinolin4yl)methanone
2(34DIMETHYLPHENYL)(4QUINOLYL)4BENZYLPIPERAZINYLKETONE
CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC=CC=C5)C
InChI=1SC29H29N3Oc121121324(1822(21)2)281926(2510671127(25)3028)29(33)32161431(151732)20238435923h3131819H141720H212H3
MFCD01358738
ZINC000017099663
ZINC17099663

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Available files

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