Vitas-M small molecule compound

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

Catalog ID
STL177294
SMILES CSc1nnc(n1/N=C/c1cccc(c1)O)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 C11H10F2N4OS MW 284.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H10F2N4OS/c1-19-11-16-15-10(9(12)13)17(11)14-6-7-3-2-4-8(18)5-7/h2-6,9,18H,1H3/b14-6+
InChIKey
QWATWJSYYLOWKA-MKMNVTDBSA-N
Synonyms
828277-88-9
3((E)((3(difluoromethyl)5(methylsulfanyl)4H124triazol4yl)imino)methyl)phenol
3((E)(3(difluoromethyl)5methylsulfanyl124triazol4yl)iminomethyl)phenol
828277889
CSC1=NN=C(N1N=CC2=CC(=CC=C2)O)C(F)F
CSc1nnc(n1N=Cc1cccc(c1)O)C(F)F
InChI=1SC11H10F2N4OSc11911161510(9(12)13)17(11)14673248(18)57h26918H1H3b146+
MFCD04052666
ZINC000002789850
ZINC35678982

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Available files

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