Vitas-M small molecule compound

4-bromo-3-[(E)-{[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl]phenol

Catalog ID
STL177369
SMILES CSc1nnc(n1/N=C/c1cc(O)ccc1Br)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 C11H9BrF2N4OS MW 363.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H9BrF2N4OS/c1-20-11-17-16-10(9(13)14)18(11)15-5-6-4-7(19)2-3-8(6)12/h2-5,9,19H,1H3/b15-5+
InChIKey
IFRKYDMJOHJLPK-PJQLUOCWSA-N
Synonyms
828275-20-3
4bromo3((E)((3(difluoromethyl)5(methylsulfanyl)4H124triazol4yl)imino)methyl)phenol
4bromo3((E)(3(difluoromethyl)5methylsulfanyl124triazol4yl)iminomethyl)phenol
828275203
CSC1=NN=C(N1N=CC2=C(C=CC(=C2)O)Br)C(F)F
CSc1nnc(n1N=Cc1cc(O)ccc1Br)C(F)F
InChI=1SC11H9BrF2N4OSc12011171610(9(13)14)18(11)155647(19)238(6)12h25919H1H3b155+
MFCD04053593
ZINC000002788810
ZINC35678857

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.