Vitas-M small molecule compound
3-(difluoromethyl)-N-[(E)-{4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL396372
SMILES COc1ccc(cc1Cn1ccc(n1)[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 C16H15F2N7O3S MW 423.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15F2N7O3S/c1-28-12-4-3-10(7-11(12)9-23-6-5-13(22-23)25(26)27)8-19-24-15(14(17)18)20-21-16(24)29-2/h3-8,14H,9H2,1-2H3/b19-8+InChIKey
YBQQYSZMXBCPGG-UFWORHAWSA-NSynonyms
1005679-32-2(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(4methoxy3((3nitropyrazol1yl)methyl)phenyl)methanimine
1005679322
3(DIFLUOROMETHYL)N((E)(4METHOXY3((3NITRO1HPYRAZOL1YL)METHYL)PHENYL)METHYLIDENE)5(METHYLSULFANYL)4H124TRIAZOL4AMINE
COC1=C(C=C(C=C1)C=NN2C(=NN=C2SC)C(F)F)CN3C=CC(=N3)(N+)(=O)(O)
COc1ccc(cc1Cn1ccc(n1)(N+)(=O)(O))C=Nn1c(SC)nnc1C(F)F
InChI=1SC16H15F2N7O3Sc128124310(711(12)9236513(2223)25(26)27)8192415(14(17)18)202116(24)292h3814H9H212H3b198+
MFCD05666927
ZINC000002792296
ZINC2792295
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