Vitas-M small molecule compound

(4Z)-4-(2,6-dichlorobenzylidene)-2-(ethylsulfanyl)-1,3-thiazol-5(4H)-one

Catalog ID
STK509408
SMILES CCSC1=N/C(=C\c2c(Cl)cccc2Cl)/C(=O)S1

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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 C12H9Cl2NOS2 MW 318.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9Cl2NOS2/c1-2-17-12-15-10(11(16)18-12)6-7-8(13)4-3-5-9(7)14/h3-6H,2H2,1H3/b10-6-
InChIKey
ATWUZFQBEPKGKX-POHAHGRESA-N
Synonyms

(4Z)4((26DICHLOROPHENYL)METHYLIDENE)2ETHYLSULFANYL13THIAZOL5ONE
(4Z)4(26dichlorobenzylidene)2(ethylsulfanyl)13thiazol5(4H)one
CCSC1=NC(=CC2=C(C=CC=C2Cl)Cl)C(=O)S1
CCSC1=NC(=Cc2c(Cl)cccc2Cl)C(=O)S1
InChI=1SC12H9Cl2NOS2c1217121510(11(16)1812)678(13)4359(7)14h36H2H21H3b106
MFCD02377129
ZINC000004755134
ZINC04755134
ZINC4755134

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Available files

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