Vitas-M small molecule compound
N-[(E)-{5-[(2,3-dichlorophenoxy)methyl]furan-2-yl}methylidene]-3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL177366
SMILES CSc1nnc(n1/N=C/c1ccc(o1)COc1cccc(c1Cl)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 C16H12Cl2F2N4O2S MW 433.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12Cl2F2N4O2S/c1-27-16-23-22-15(14(19)20)24(16)21-7-9-5-6-10(26-9)8-25-12-4-2-3-11(17)13(12)18/h2-7,14H,8H2,1H3/b21-7+InChIKey
BYQRYXRKCRPQFJ-QPSGOUHRSA-NSynonyms
828279-58-9(E)1(5((23dichlorophenoxy)methyl)furan2yl)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)methanimine
828279589
CSC1=NN=C(N1N=CC2=CC=C(O2)COC3=C(C(=CC=C3)Cl)Cl)C(F)F
CSc1nnc(n1N=Cc1ccc(o1)COc1cccc(c1Cl)Cl)C(F)F
InChI=1SC16H12Cl2F2N4O2Sc12716232215(14(19)20)24(16)21795610(269)8251242311(17)13(12)18h2714H8H21H3b217+
MFCD04053589
N((E)(5((23dichlorophenoxy)methyl)furan2yl)methylidene)3(difluoromethyl)5(methylsulfanyl)4H124triazol4amine
ZINC000002790329
ZINC35679112
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