Vitas-M small molecule compound
(5Z)-5-(2,6-dichlorobenzylidene)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK515867
SMILES COc1cc(/C=C/c2nn3c(n2)s/c(=C\c2c(Cl)cccc2Cl)/c3=O)ccc1OC
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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 C21H15Cl2N3O3S MW 460.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15Cl2N3O3S/c1-28-16-8-6-12(10-17(16)29-2)7-9-19-24-21-26(25-19)20(27)18(30-21)11-13-14(22)4-3-5-15(13)23/h3-11H,1-2H3/b9-7+,18-11-InChIKey
YKTGYMZVCUWFQA-YNOOQSKBSA-NSynonyms
(5Z)5((26dichlorophenyl)methylidene)2((E)2(34dimethoxyphenyl)ethenyl)(13)thiazolo(32b)(124)triazol6one
(5Z)5(26dichlorobenzylidene)2((E)2(34dimethoxyphenyl)ethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
COC1=C(C=C(C=C1)C=CC2=NN3C(=O)C(=CC4=C(C=CC=C4Cl)Cl)SC3=N2)OC
COc1cc(C=Cc2nn3c(n2)sc(=Cc2c(Cl)cccc2Cl)c3=O)ccc1OC
InChI=1SC21H15Cl2N3O3Sc128168612(1017(16)292)7919242126(2519)20(27)18(3021)111314(22)43515(13)23h311H12H3b97+1811
MFCD06645413
ZINC000016742087
ZINC16742087
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