Vitas-M small molecule compound
methyl 5-({4-[(E)-{[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl]-2,6-dimethoxyphenoxy}methyl)furan-2-carboxylate
Catalog ID
STL178650
SMILES COc1cc(/C=N/n2c(SC)nnc2C(F)F)cc(c1OCc1ccc(o1)C(=O)OC)OC
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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 C20H20F2N4O6S MW 482.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20F2N4O6S/c1-28-14-7-11(9-23-26-18(17(21)22)24-25-20(26)33-4)8-15(29-2)16(14)31-10-12-5-6-13(32-12)19(27)30-3/h5-9,17H,10H2,1-4H3/b23-9+InChIKey
VHANHAOQPDWJBS-NUGSKGIGSA-NSynonyms
828281-87-4828281874
COC1=CC(=CC(=C1OCC2=CC=C(O2)C(=O)OC)OC)C=NN3C(=NN=C3SC)C(F)F
COc1cc(C=Nn2c(SC)nnc2C(F)F)cc(c1OCc1ccc(o1)C(=O)OC)OC
InChI=1SC20H20F2N4O6Sc12814711(9232618(17(21)22)242520(26)334)815(292)16(14)3110125613(3212)19(27)303h5917H10H214H3b239+
methyl5((4((E)((3(difluoromethyl)5(methylsulfanyl)4H124triazol4yl)imino)methyl)26dimethoxyphenoxy)methyl)furan2carboxylate
methyl5((4((E)(3(difluoromethyl)5methylsulfanyl124triazol4yl)iminomethyl)26dimethoxyphenoxy)methyl)furan2carboxylate
MFCD05666917
ZINC000002791372
ZINC2791371
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