Vitas-M small molecule compound
3-[(4Z)-3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STK107245
SMILES CC1=NN(C(=O)/C/1=C\c1ccc(o1)c1cccc(c1)C(F)(F)F)c1cccc(c1)C(=O)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 C23H15F3N2O4 MW 440.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15F3N2O4/c1-13-19(21(29)28(27-13)17-7-3-5-15(11-17)22(30)31)12-18-8-9-20(32-18)14-4-2-6-16(10-14)23(24,25)26/h2-12H,1H3,(H,30,31)/b19-12-InChIKey
LJJFWRJTXCWPQO-UNOMPAQXSA-NSynonyms
3((4Z)3METHYL5OXO4((5(3(TRIFLUOROMETHYL)PHENYL)FURAN2YL)METHYLIDENE)45DIHYDRO1HPYRAZOL1YL)BENZOICACID
3((4Z)3METHYL5OXO4((5(3(TRIFLUOROMETHYL)PHENYL)FURAN2YL)METHYLIDENE)PYRAZOL1YL)BENZOICACID
CC1=NN(C(=O)C1=Cc1ccc(o1)c1cccc(c1)C(F)(F)F)c1cccc(c1)C(=O)O
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F)C4=CC=CC(=C4)C(=O)O
InChI=1SC23H15F3N2O4c11319(21(29)28(2713)1773515(1117)22(30)31)12188920(3218)1442616(1014)23(2425)26h212H1H3(H3031)b1912
MFCD05041820
ZINC000012465971
ZINC12465971
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