Vitas-M small molecule compound

(5Z)-5-(2-chlorobenzylidene)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one

Catalog ID
STK555129
SMILES O=C1N=C(S/C/1=C\c1ccccc1Cl)N1CCN(CC1)c1ccc(c(c1)Cl)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 C21H19Cl2N3OS MW 432.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2N3OS/c1-14-6-7-16(13-18(14)23)25-8-10-26(11-9-25)21-24-20(27)19(28-21)12-15-4-2-3-5-17(15)22/h2-7,12-13H,8-11H2,1H3/b19-12-
InChIKey
SDXXONTWFMSNTN-UNOMPAQXSA-N
Synonyms
840509-37-7
(5Z)2(4(3CHLORO4METHYLPHENYL)PIPERAZIN1YL)5((2CHLOROPHENYL)METHYLIDENE)13THIAZOL4ONE
(5Z)5(2chlorobenzylidene)2(4(3chloro4methylphenyl)piperazin1yl)13thiazol4(5H)one
(Z)2(4(3chloro4methylphenyl)piperazin1yl)5(2chlorobenzylidene)thiazol4(5H)one
840509377
CC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=O)C(=CC4=CC=CC=C4Cl)S3)Cl
InChI=1SC21H19Cl2N3OSc1146716(1318(14)23)2581026(11925)212420(27)19(2821)1215423517(15)22h271213H811H21H3b1912
MFCD04009067
O=C1N=C(SC1=Cc1ccccc1Cl)N1CCN(CC1)c1ccc(c(c1)Cl)C
ZINC000008741265
ZINC08741265
ZINC8741265

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Available files

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