Vitas-M small molecule compound
3-(difluoromethyl)-N-[(E)-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL400271
SMILES COc1ccc(cc1Cn1ncc(c1)[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/c1-28-13-4-3-10(5-11(13)8-23-9-12(7-19-23)25(26)27)6-20-24-15(14(17)18)21-22-16(24)29-2/h3-7,9,14H,8H2,1-2H3/b20-6+InChIKey
QPWDWCWGSWNKGW-CGOBSMCZSA-NSynonyms
1005591-12-7(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(4methoxy3((4nitropyrazol1yl)methyl)phenyl)methanimine
1005591127
3(difluoromethyl)N((E)(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)methylidene)5(methylsulfanyl)4H124triazol4amine
COC1=C(C=C(C=C1)C=NN2C(=NN=C2SC)C(F)F)CN3C=C(C=N3)(N+)(=O)(O)
COc1ccc(cc1Cn1ncc(c1)(N+)(=O)(O))C=Nn1c(SC)nnc1C(F)F
InChI=1SC16H15F2N7O3Sc128134310(511(13)823912(71923)25(26)27)6202415(14(17)18)212216(24)292h37914H8H212H3b206+
MFCD04052659
ZINC000002792352
ZINC2792351
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