Vitas-M small molecule compound
3-(butylsulfanyl)-N-[(E)-(4-chlorophenyl)methylidene]-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STK314701
SMILES CCCCSc1nnc(n1/N=C/c1ccc(cc1)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 C14H15ClF2N4S MW 344.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15ClF2N4S/c1-2-3-8-22-14-20-19-13(12(16)17)21(14)18-9-10-4-6-11(15)7-5-10/h4-7,9,12H,2-3,8H2,1H3/b18-9+InChIKey
MPKOJCUKGHXDMG-GIJQJNRQSA-NSynonyms
866817-30-3(E)N(3butylsulfanyl5(difluoromethyl)124triazol4yl)1(4chlorophenyl)methanimine
3(butylsulfanyl)N((E)(4chlorophenyl)methylidene)5(difluoromethyl)4H124triazol4amine
866817303
CCCCSC1=NN=C(N1N=CC2=CC=C(C=C2)Cl)C(F)F
CCCCSc1nnc(n1N=Cc1ccc(cc1)Cl)C(F)F
InChI=1SC14H15ClF2N4Sc12382214201913(12(16)17)21(14)189104611(15)7510h47912H238H21H3b189+
MFCD06196925
ZINC000013961048
ZINC59847560
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