Vitas-M small molecule compound
3-(butylsulfanyl)-N-[(E)-(2,4-dichlorophenyl)methylidene]-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STK314723
SMILES CCCCSc1nnc(n1/N=C/c1ccc(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 C14H14Cl2F2N4S MW 379.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14Cl2F2N4S/c1-2-3-6-23-14-21-20-13(12(17)18)22(14)19-8-9-4-5-10(15)7-11(9)16/h4-5,7-8,12H,2-3,6H2,1H3/b19-8+InChIKey
ATAHQFSLRVRVEL-UFWORHAWSA-NSynonyms
866817-77-8(E)N(3butylsulfanyl5(difluoromethyl)124triazol4yl)1(24dichlorophenyl)methanimine
3(butylsulfanyl)N((E)(24dichlorophenyl)methylidene)5(difluoromethyl)4H124triazol4amine
866817778
CCCCSC1=NN=C(N1N=CC2=C(C=C(C=C2)Cl)Cl)C(F)F
CCCCSc1nnc(n1N=Cc1ccc(cc1Cl)Cl)C(F)F
InChI=1SC14H14Cl2F2N4Sc12362314212013(12(17)18)22(14)19894510(15)711(9)16h457812H236H21H3b198+
MFCD06197004
ZINC000013961063
ZINC59847566
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