Vitas-M small molecule compound

methyl 4-{(Z)-2-cyano-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl}benzoate

Catalog ID
STK606344
SMILES N#C/C(=C/c1ccc(cc1)C(=O)OC)/c1scc(n1)c1ccc(c(c1)Cl)Cl

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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 C20H12Cl2N2O2S MW 415.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12Cl2N2O2S/c1-26-20(25)13-4-2-12(3-5-13)8-15(10-23)19-24-18(11-27-19)14-6-7-16(21)17(22)9-14/h2-9,11H,1H3/b15-8-
InChIKey
XNPNBKNNAOBCRG-NVNXTCNLSA-N
Synonyms
683249-97-0
(Z)methyl4(2cyano2(4(34dichlorophenyl)thiazol2yl)vinyl)benzoate
683249970
COC(=O)C1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC20H12Cl2N2O2Sc12620(25)134212(3513)815(1023)192418(112719)146716(21)17(22)914h2911H1H3b158
methyl4((Z)2cyano2(4(34dichlorophenyl)13thiazol2yl)ethenyl)benzoate
MFCD03669241
N#CC(=Cc1ccc(cc1)C(=O)OC)c1scc(n1)c1ccc(c(c1)Cl)Cl
ZINC000009170044
ZINC09170044
ZINC9170044

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Available files

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