Vitas-M small molecule compound
N-[(E)-{5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl}methylidene]-3-(furan-2-yl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL178749
SMILES CSc1nnc(n1/N=C/c1ccc(o1)COc1cc(C)c(c(c1)C)Cl)c1ccco1
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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 C21H19ClN4O3S MW 442.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O3S/c1-13-9-17(10-14(2)19(13)22)28-12-16-7-6-15(29-16)11-23-26-20(18-5-4-8-27-18)24-25-21(26)30-3/h4-11H,12H2,1-3H3/b23-11+InChIKey
UWQGHWNIPWWCEW-FOKLQQMPSA-NSynonyms
866741-73-3(E)1(5((4chloro35dimethylphenoxy)methyl)furan2yl)N(3(furan2yl)5methylsulfanyl124triazol4yl)methanimine
866741733
CC1=CC(=CC(=C1Cl)C)OCC2=CC=C(O2)C=NN3C(=NN=C3SC)C4=CC=CO4
CSc1nnc(n1N=Cc1ccc(o1)COc1cc(C)c(c(c1)C)Cl)c1ccco1
InChI=1SC21H19ClN4O3Sc113917(1014(2)19(13)22)2812167615(2916)11232620(185482718)242521(26)303h411H12H213H3b2311+
MFCD07433968
N((E)(5((4chloro35dimethylphenoxy)methyl)furan2yl)methylidene)3(furan2yl)5(methylsulfanyl)4H124triazol4amine
ZINC000036611452
ZINC96576936
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