Vitas-M small molecule compound
N-[(E)-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]-3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STK306523
SMILES COc1ccc(cc1COc1cccc(c1)Br)/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/c1-27-16-7-6-12(8-13(16)11-28-15-5-3-4-14(20)9-15)10-23-26-18(17(21)22)24-25-19(26)29-2/h3-10,17H,11H2,1-2H3/b23-10+InChIKey
NOBYDMGMUXGLFQ-AUEPDCJTSA-NSynonyms
828280-44-0(E)1(3((3bromophenoxy)methyl)4methoxyphenyl)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)methanimine
828280440
COC1=C(C=C(C=C1)C=NN2C(=NN=C2SC)C(F)F)COC3=CC(=CC=C3)Br
COc1ccc(cc1COc1cccc(c1)Br)C=Nn1c(SC)nnc1C(F)F
InChI=1SC19H17BrF2N4O2Sc127167612(813(16)11281553414(20)915)10232618(17(21)22)242519(26)292h31017H11H212H3b2310+
MFCD05666914
N((E)(3((3bromophenoxy)methyl)4methoxyphenyl)methylidene)3(difluoromethyl)5(methylsulfanyl)4H124triazol4amine
ZINC000002790972
ZINC2790971
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