Vitas-M small molecule compound
N-[(E)-{3-[(2-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]-3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL176615
SMILES COc1ccc(cc1COc1ccccc1Br)/C=N/n1c(SC)nnc1C(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 C19H17BrF2N4O2S MW 483.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrF2N4O2S/c1-27-15-8-7-12(9-13(15)11-28-16-6-4-3-5-14(16)20)10-23-26-18(17(21)22)24-25-19(26)29-2/h3-10,17H,11H2,1-2H3/b23-10+InChIKey
GQKNLPAGQJKZKU-AUEPDCJTSA-NSynonyms
828280-11-1(E)1(3((2bromophenoxy)methyl)4methoxyphenyl)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)methanimine
828280111
COC1=C(C=C(C=C1)C=NN2C(=NN=C2SC)C(F)F)COC3=CC=CC=C3Br
COc1ccc(cc1COc1ccccc1Br)C=Nn1c(SC)nnc1C(F)F
InChI=1SC19H17BrF2N4O2Sc127158712(913(15)112816643514(16)20)10232618(17(21)22)242519(26)292h31017H11H212H3b2310+
MFCD04049729
N((E)(3((2bromophenoxy)methyl)4methoxyphenyl)methylidene)3(difluoromethyl)5(methylsulfanyl)4H124triazol4amine
ZINC000002790876
ZINC2790875
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