Vitas-M small molecule compound
3-(difluoromethyl)-5-(methylsulfanyl)-N-[(E)-{5-[(4-nitrophenoxy)methyl]furan-2-yl}methylidene]-4H-1,2,4-triazol-4-amine
Catalog ID
STK306537
SMILES CSc1nnc(n1/N=C/c1ccc(o1)COc1ccc(cc1)[N+](=O)[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 C16H13F2N5O4S MW 409.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13F2N5O4S/c1-28-16-21-20-15(14(17)18)22(16)19-8-12-6-7-13(27-12)9-26-11-4-2-10(3-5-11)23(24)25/h2-8,14H,9H2,1H3/b19-8+InChIKey
VACSHWIMCABQMA-UFWORHAWSA-NSynonyms
828280-58-6(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(5((4nitrophenoxy)methyl)furan2yl)methanimine
3(difluoromethyl)5(methylsulfanyl)N((E)(5((4nitrophenoxy)methyl)furan2yl)methylidene)4H124triazol4amine
828280586
CSC1=NN=C(N1N=CC2=CC=C(O2)COC3=CC=C(C=C3)(N+)(=O)(O))C(F)F
CSc1nnc(n1N=Cc1ccc(o1)COc1ccc(cc1)(N+)(=O)(O))C(F)F
InChI=1SC16H13F2N5O4Sc12816212015(14(17)18)22(16)198126713(2712)926114210(3511)23(24)25h2814H9H21H3b198+
MFCD04053598
ZINC000002791016
ZINC35679180
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