Vitas-M small molecule compound
3-[(4E)-4-({5-[1,3-dioxo-2-(propan-2-yl)-2,3-dihydro-1H-isoindol-5-yl]furan-2-yl}methylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STL388173
SMILES CC(N1C(=O)c2c(C1=O)cc(cc2)c1ccc(o1)/C=C\1/C(=O)N(N=C1C(F)(F)F)c1cccc(c1)C(=O)O)C
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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 C27H18F3N3O6 MW 537.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18F3N3O6/c1-13(2)32-23(34)18-8-6-14(11-19(18)24(32)35)21-9-7-17(39-21)12-20-22(27(28,29)30)31-33(25(20)36)16-5-3-4-15(10-16)26(37)38/h3-13H,1-2H3,(H,37,38)/b20-12+InChIKey
HJMWIBWSBUXWSR-UDWIEESQSA-NSynonyms
3((4E)4((5(13dioxo2(propan2yl)23dihydro1Hisoindol5yl)furan2yl)methylidene)5oxo3(trifluoromethyl)45dihydro1Hpyrazol1yl)benzoicacid
3((4E)4((5(13dioxo2propan2ylisoindol5yl)furan2yl)methylidene)5oxo3(trifluoromethyl)pyrazol1yl)benzoicacid
CC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C3=CC=C(O3)C=C4C(=NN(C4=O)C5=CC=CC(=C5)C(=O)O)C(F)(F)F
CC(N1C(=O)c2c(C1=O)cc(cc2)c1ccc(o1)C=C1C(=O)N(N=C1C(F)(F)F)c1cccc(c1)C(=O)O)C
InChI=1SC27H18F3N3O6c113(2)3223(34)188614(1119(18)24(32)35)219717(3921)122022(27(2829)30)3133(25(20)36)1653415(1016)26(37)38h313H12H3(H3738)b2012+
MFCD28950984
ZINC000105992016
ZINC105992016
Check stock
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Check stock on Vitas-MAvailable files
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