Vitas-M small molecule compound
N-[(E)-{3-[(2-chloro-4-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STK306862
SMILES COc1ccc(cc1COc1ccc(cc1Cl)[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 C19H16ClF2N5O4S MW 483.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClF2N5O4S/c1-30-15-5-3-11(9-23-26-18(17(21)22)24-25-19(26)32-2)7-12(15)10-31-16-6-4-13(27(28)29)8-14(16)20/h3-9,17H,10H2,1-2H3/b23-9+InChIKey
SLWDFZGDLJARST-NUGSKGIGSA-NSynonyms
828285-55-8(E)1(3((2chloro4nitrophenoxy)methyl)4methoxyphenyl)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)methanimine
828285558
COC1=C(C=C(C=C1)C=NN2C(=NN=C2SC)C(F)F)COC3=C(C=C(C=C3)(N+)(=O)(O))Cl
COc1ccc(cc1COc1ccc(cc1Cl)(N+)(=O)(O))C=Nn1c(SC)nnc1C(F)F
InChI=1SC19H16ClF2N5O4Sc130155311(9232618(17(21)22)242519(26)322)712(15)1031166413(27(28)29)814(16)20h3917H10H212H3b239+
MFCD04049731
N((E)(3((2chloro4nitrophenoxy)methyl)4methoxyphenyl)methylidene)3(difluoromethyl)5(methylsulfanyl)4H124triazol4amine
ZINC000002792053
ZINC2792052
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