Vitas-M small molecule compound
3-(butylsulfanyl)-N-[(E)-{5-[(3,4-dichlorophenoxy)methyl]furan-2-yl}methylidene]-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL173329
SMILES CCCCSc1nnc(n1/N=C/c1ccc(o1)COc1ccc(c(c1)Cl)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 C19H18Cl2F2N4O2S MW 475.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18Cl2F2N4O2S/c1-2-3-8-30-19-26-25-18(17(22)23)27(19)24-10-13-4-5-14(29-13)11-28-12-6-7-15(20)16(21)9-12/h4-7,9-10,17H,2-3,8,11H2,1H3/b24-10+InChIKey
HBPDLCXHGOBVOK-YSURURNPSA-NSynonyms
866817-80-3(E)N(3butylsulfanyl5(difluoromethyl)124triazol4yl)1(5((34dichlorophenoxy)methyl)furan2yl)methanimine
3(butylsulfanyl)N((E)(5((34dichlorophenoxy)methyl)furan2yl)methylidene)5(difluoromethyl)4H124triazol4amine
866817803
CCCCSC1=NN=C(N1N=CC2=CC=C(O2)COC3=CC(=C(C=C3)Cl)Cl)C(F)F
CCCCSc1nnc(n1N=Cc1ccc(o1)COc1ccc(c(c1)Cl)Cl)C(F)F
InChI=1SC19H18Cl2F2N4O2Sc12383019262518(17(22)23)27(19)2410134514(2913)1128126715(20)16(21)912h4791017H23811H21H3b2410+
MFCD06197011
ZINC000036611838
ZINC96577114
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