Vitas-M small molecule compound
1,3-benzothiazol-2-yl[1-(3,4-dichlorophenyl)-2,6-dimethylpyridin-4(1H)-ylidene]acetonitrile
Catalog ID
STL073145
SMILES N#C/C(=c/1\cc(C)n(c(c1)C)c1ccc(c(c1)Cl)Cl)/c1nc2c(s1)cccc2
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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 C22H15Cl2N3S MW 424.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15Cl2N3S/c1-13-9-15(10-14(2)27(13)16-7-8-18(23)19(24)11-16)17(12-25)22-26-20-5-3-4-6-21(20)28-22/h3-11H,1-2H3InChIKey
JLRWMNCAVWCEOG-UHFFFAOYSA-NSynonyms
13benzothiazol2yl(1(34dichlorophenyl)26dimethylpyridin4(1H)ylidene)acetonitrile
2(13BENZOTHIAZOL2YL)2(1(34DICHLOROPHENYL)26DIMETHYLPYRIDIN4YLIDENE)ACETONITRILE
2BENZOTHIAZOL2YL2(1(34DICHLOROPHENYL)26DIMETHYL(4HYDROPYRIDYLIDENE))ETHANENITRILE
CC1=CC(=C(C#N)C2=NC3=CC=CC=C3S2)C=C(N1C4=CC(=C(C=C4)Cl)Cl)C
InChI=1SC22H15Cl2N3Sc113915(1014(2)27(13)167818(23)19(24)1116)17(1225)222620534621(20)2822h311H12H3
MFCD02694604
N#CC(=c1cc(C)n(c(c1)C)c1ccc(c(c1)Cl)Cl)c1nc2c(s1)cccc2
ZINC000003170359
ZINC03170359
ZINC3170359
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