Vitas-M small molecule compound
3-(difluoromethyl)-5-(methylsulfanyl)-N-[(E)-{5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl}methylidene]-4H-1,2,4-triazol-4-amine
Catalog ID
STL177264
SMILES CSc1nnc(n1/N=C/c1ccc(o1)COc1c(Cl)cc(cc1Cl)Cl)C(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 C16H11Cl3F2N4O2S MW 467.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11Cl3F2N4O2S/c1-28-16-24-23-15(14(20)21)25(16)22-6-9-2-3-10(27-9)7-26-13-11(18)4-8(17)5-12(13)19/h2-6,14H,7H2,1H3/b22-6+InChIKey
CFSSHYQIAKVTEM-GEVRCRHISA-NSynonyms
828277-86-7(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(5((246trichlorophenoxy)methyl)furan2yl)methanimine
3(difluoromethyl)5(methylsulfanyl)N((E)(5((246trichlorophenoxy)methyl)furan2yl)methylidene)4H124triazol4amine
828277867
CSC1=NN=C(N1N=CC2=CC=C(O2)COC3=C(C=C(C=C3Cl)Cl)Cl)C(F)F
CSc1nnc(n1N=Cc1ccc(o1)COc1c(Cl)cc(cc1Cl)Cl)C(F)F
InChI=1SC16H11Cl3F2N4O2Sc12816242315(14(20)21)25(16)22692310(279)7261311(18)48(17)512(13)19h2614H7H21H3b226+
MFCD04052574
ZINC000002789843
ZINC4510770
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