Vitas-M small molecule compound
N-[(E)-{5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl}methylidene]-3-(ethylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL173536
SMILES CCSc1nnc(n1/N=C/c1ccc(o1)COc1cc(C)c(c(c1)C)Cl)C(F)(F)F
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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 C19H18ClF3N4O2S MW 458.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClF3N4O2S/c1-4-30-18-26-25-17(19(21,22)23)27(18)24-9-13-5-6-14(29-13)10-28-15-7-11(2)16(20)12(3)8-15/h5-9H,4,10H2,1-3H3/b24-9+InChIKey
CEAWMTNMHMQVQX-PGGKNCGUSA-NSynonyms
866743-19-3(E)1(5((4chloro35dimethylphenoxy)methyl)furan2yl)N(3ethylsulfanyl5(trifluoromethyl)124triazol4yl)methanimine
866743193
CCSC1=NN=C(N1N=CC2=CC=C(O2)COC3=CC(=C(C(=C3)C)Cl)C)C(F)(F)F
CCSc1nnc(n1N=Cc1ccc(o1)COc1cc(C)c(c(c1)C)Cl)C(F)(F)F
InChI=1SC19H18ClF3N4O2Sc143018262517(19(2122)23)27(18)249135614(2913)102815711(2)16(20)12(3)815h59H410H213H3b249+
MFCD08552901
N((E)(5((4chloro35dimethylphenoxy)methyl)furan2yl)methylidene)3(ethylsulfanyl)5(trifluoromethyl)4H124triazol4amine
ZINC000036611510
ZINC96577041
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