Vitas-M small molecule compound
4-{[(E)-{5-[(4-nitrophenoxy)methyl]furan-2-yl}methylidene]amino}-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173764
SMILES Sc1nnc(n1/N=C/c1ccc(o1)COc1ccc(cc1)[N+](=O)[O-])C(F)(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 C15H10F3N5O4S MW 413.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H10F3N5O4S/c16-15(17,18)13-20-21-14(28)22(13)19-7-11-5-6-12(27-11)8-26-10-3-1-9(2-4-10)23(24)25/h1-7H,8H2,(H,21,28)/b19-7+InChIKey
YTDACGOKEYPHFM-FBCYGCLPSA-NSynonyms
828283-66-54(((E)(5((4nitrophenoxy)methyl)furan2yl)methylidene)amino)5(trifluoromethyl)4H124triazole3thiol
4((E)(5((4nitrophenoxy)methyl)furan2yl)methylideneamino)3(trifluoromethyl)1H124triazole5thione
828283665
C1=CC(=CC=C1(N+)(=O)(O))OCC2=CC=C(O2)C=NN3C(=NNC3=S)C(F)(F)F
InChI=1SC15H10F3N5O4Sc1615(1718)13202114(28)22(13)197115612(2711)82610319(2410)23(24)25h17H8H2(H2128)b197+
MFCD04047799
Sc1nnc(n1N=Cc1ccc(o1)COc1ccc(cc1)(N+)(=O)(O))C(F)(F)F
ZINC000002791603
ZINC2791602
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