Vitas-M small molecule compound

(3Z,5E)-1-benzyl-3,5-bis(2,4-dichlorobenzylidene)piperidin-4-one

Catalog ID
STK757054
SMILES Clc1ccc(c(c1)Cl)/C=C/1\CN(Cc2ccccc2)C/C(=C/c2ccc(cc2Cl)Cl)/C1=O

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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 C26H19Cl4NO MW 503.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19Cl4NO/c27-22-8-6-18(24(29)12-22)10-20-15-31(14-17-4-2-1-3-5-17)16-21(26(20)32)11-19-7-9-23(28)13-25(19)30/h1-13H,14-16H2/b20-10-,21-11+
InChIKey
OWZHBEXAKKWMCT-NGHQTVFFSA-N
Synonyms

(3E5Z)1benzyl35bis(24dichlorobenzylidene)piperidin4one
(3Z5E)1BENZYL35BIS((24DICHLOROPHENYL)METHYLIDENE)PIPERIDIN4ONE
(3Z5E)1benzyl35bis(24dichlorobenzylidene)piperidin4one
1BENZYL35BIS(24DICHLOROBENZYLIDENE)4PIPERIDINONE
1BENZYL35BIS(24DICHLOROBENZYLIDENE)PIPERIDIN4ONE
C1C(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)C(=CC3=C(C=C(C=C3)Cl)Cl)CN1CC4=CC=CC=C4
Clc1ccc(c(c1)Cl)C=C1CN(Cc2ccccc2)CC(=Cc2ccc(cc2Cl)Cl)C1=O
InChI=1SC26H19Cl4NOc27228618(24(29)1222)10201531(14174213517)1621(26(20)32)11197923(28)1325(19)30h113H1416H2b20102111+
MFCD01050881
ZINC000012376400
ZINC12376400

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Available files

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