Vitas-M small molecule compound
3-{(2Z)-2-[2-(difluoromethoxy)benzylidene]-6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-7-yl}-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]propanoic acid
Catalog ID
STL567936
SMILES OC(=O)CC(c1ccnn1C(C)C)c1c(O)ccc2c1O/C(=C\c1ccccc1OC(F)F)/C2=O
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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 C25H22F2N2O6 MW 484.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22F2N2O6/c1-13(2)29-17(9-10-28-29)16(12-21(31)32)22-18(30)8-7-15-23(33)20(34-24(15)22)11-14-5-3-4-6-19(14)35-25(26)27/h3-11,13,16,25,30H,12H2,1-2H3,(H,31,32)/b20-11-InChIKey
YKDOEVKNXHTSJM-JAIQZWGSSA-NSynonyms
(Z)3(2(2(difluoromethoxy)benzylidene)6hydroxy3oxo23dihydrobenzofuran7yl)3(1isopropyl1Hpyrazol5yl)propanoicacid
128962714
3((2Z)2((2(difluoromethoxy)phenyl)methylidene)6hydroxy3oxo1benzofuran7yl)3(2propan2ylpyrazol3yl)propanoicacid
3((2Z)2(2(difluoromethoxy)benzylidene)6hydroxy3oxo23dihydro1benzofuran7yl)3(1(propan2yl)1Hpyrazol5yl)propanoicacid
InChI=1SC25H22F2N2O6c113(2)2917(9102829)16(1221(31)32)2218(30)871523(33)20(3424(15)22)1114534619(14)3525(26)27h31113162530H12H212H3(H3132)b2011
MFCD32653094
OC(=O)CC(c1ccnn1C(C)C)c1c(O)ccc2c1OC(=Cc1ccccc1OC(F)F)C2=O
ZINC000524732902
ZINC000524732903
Check stock
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