Vitas-M small molecule compound
3-(butylsulfanyl)-N-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STK314719
SMILES CCCCSc1nnc(n1/N=C/c1c(F)cccc1Cl)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 C14H14ClF3N4S MW 362.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14ClF3N4S/c1-2-3-7-23-14-21-20-13(12(17)18)22(14)19-8-9-10(15)5-4-6-11(9)16/h4-6,8,12H,2-3,7H2,1H3/b19-8+InChIKey
IOGJQDUCFHUJKX-UFWORHAWSA-NSynonyms
866817-74-5(E)N(3butylsulfanyl5(difluoromethyl)124triazol4yl)1(2chloro6fluorophenyl)methanimine
3(butylsulfanyl)N((E)(2chloro6fluorophenyl)methylidene)5(difluoromethyl)4H124triazol4amine
866817745
CCCCSC1=NN=C(N1N=CC2=C(C=CC=C2Cl)F)C(F)F
CCCCSc1nnc(n1N=Cc1c(F)cccc1Cl)C(F)F
InChI=1SC14H14ClF3N4Sc12372314212013(12(17)18)22(14)198910(15)54611(9)16h46812H237H21H3b198+
MFCD06196992
ZINC000013961060
ZINC59847564
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