Vitas-M small molecule compound
N-[(E)-(5-bromo-2-fluorophenyl)methylidene]-3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STK314752
SMILES CCCCSc1nnc(n1/N=C/c1cc(Br)ccc1F)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 C14H14BrF3N4S MW 407.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14BrF3N4S/c1-2-3-6-23-14-21-20-13(12(17)18)22(14)19-8-9-7-10(15)4-5-11(9)16/h4-5,7-8,12H,2-3,6H2,1H3/b19-8+InChIKey
YOGDAVHLDPYHHH-UFWORHAWSA-NSynonyms
866816-93-5(E)1(5bromo2fluorophenyl)N(3butylsulfanyl5(difluoromethyl)124triazol4yl)methanimine
866816935
CCCCSC1=NN=C(N1N=CC2=C(C=CC(=C2)Br)F)C(F)F
CCCCSc1nnc(n1N=Cc1cc(Br)ccc1F)C(F)F
InChI=1SC14H14BrF3N4Sc12362314212013(12(17)18)22(14)1989710(15)4511(9)16h457812H236H21H3b198+
MFCD06197198
N((E)(5bromo2fluorophenyl)methylidene)3(butylsulfanyl)5(difluoromethyl)4H124triazol4amine
ZINC000013961085
ZINC59847571
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