Vitas-M small molecule compound
3-(difluoromethyl)-N-[(E)-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}methylidene]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL176616
SMILES COc1ccc(cc1CSc1ccccn1)/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 C18H17F2N5OS2 MW 421.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F2N5OS2/c1-26-14-7-6-12(9-13(14)11-28-15-5-3-4-8-21-15)10-22-25-17(16(19)20)23-24-18(25)27-2/h3-10,16H,11H2,1-2H3/b22-10+InChIKey
CWGZZZKDJOVATL-LSHDLFTRSA-NSynonyms
828278-27-9(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(4methoxy3(pyridin2ylsulfanylmethyl)phenyl)methanimine
3(difluoromethyl)N((E)(4methoxy3((pyridin2ylsulfanyl)methyl)phenyl)methylidene)5(methylsulfanyl)4H124triazol4amine
828278279
COC1=C(C=C(C=C1)C=NN2C(=NN=C2SC)C(F)F)CSC3=CC=CC=N3
COc1ccc(cc1CSc1ccccn1)C=Nn1c(SC)nnc1C(F)F
InChI=1SC18H17F2N5OS2c126147612(913(14)11281553482115)10222517(16(19)20)232418(25)272h31016H11H212H3b2210+
MFCD04049730
ZINC000033960891
ZINC2789971
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