Vitas-M small molecule compound
methyl 5-[({1-[(E)-{[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl]naphthalen-2-yl}oxy)methyl]furan-2-carboxylate
Catalog ID
STL177597
SMILES COC(=O)c1ccc(o1)COc1ccc2c(c1/C=N/n1c(SC)nnc1C(F)F)cccc2
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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 C22H18F2N4O4S MW 472.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F2N4O4S/c1-30-21(29)18-10-8-14(32-18)12-31-17-9-7-13-5-3-4-6-15(13)16(17)11-25-28-20(19(23)24)26-27-22(28)33-2/h3-11,19H,12H2,1-2H3/b25-11+InChIKey
BZELVXKBOHJXQS-OPEKNORGSA-NSynonyms
828284-26-0828284260
COC(=O)C1=CC=C(O1)COC2=C(C3=CC=CC=C3C=C2)C=NN4C(=NN=C4SC)C(F)F
COC(=O)c1ccc(o1)COc1ccc2c(c1C=Nn1c(SC)nnc1C(F)F)cccc2
InChI=1SC22H18F2N4O4Sc13021(29)1810814(3218)1231179713534615(13)16(17)11252820(19(23)24)262722(28)332h31119H12H212H3b2511+
methyl5(((1((E)((3(difluoromethyl)5(methylsulfanyl)4H124triazol4yl)imino)methyl)naphthalen2yl)oxy)methyl)furan2carboxylate
methyl5((1((E)(3(difluoromethyl)5methylsulfanyl124triazol4yl)iminomethyl)naphthalen2yl)oxymethyl)furan2carboxylate
MFCD04053684
ZINC000002791740
ZINC2791739
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