Vitas-M small molecule compound
3-(difluoromethyl)-N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STK306725
SMILES COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/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 C19H17F2N5O4S MW 449.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17F2N5O4S/c1-29-16-9-13(10-22-25-18(17(20)21)23-24-19(25)31-2)5-8-15(16)30-11-12-3-6-14(7-4-12)26(27)28/h3-10,17H,11H2,1-2H3/b22-10+InChIKey
KNFUQHQMMPEUKW-LSHDLFTRSA-NSynonyms
828283-85-8(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(3methoxy4((4nitrophenyl)methoxy)phenyl)methanimine
3(difluoromethyl)N((E)(3methoxy4((4nitrobenzyl)oxy)phenyl)methylidene)5(methylsulfanyl)4H124triazol4amine
828283858
COC1=C(C=CC(=C1)C=NN2C(=NN=C2SC)C(F)F)OCC3=CC=C(C=C3)(N+)(=O)(O)
COc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))C=Nn1c(SC)nnc1C(F)F
InChI=1SC19H17F2N5O4Sc12916913(10222518(17(20)21)232419(25)312)5815(16)3011123614(7412)26(27)28h31017H11H212H3b2210+
MFCD04053685
ZINC000002791640
ZINC2791639
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