Vitas-M small molecule compound
4-[(4E)-4-{[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STK219822
SMILES O=C1N(N=C(/C/1=C\c1ccc(o1)c1ccc(c(c1)Cl)C)C(F)(F)F)c1ccc(cc1)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 C23H14ClF3N2O4 MW 474.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14ClF3N2O4/c1-12-2-3-14(10-18(12)24)19-9-8-16(33-19)11-17-20(23(25,26)27)28-29(21(17)30)15-6-4-13(5-7-15)22(31)32/h2-11H,1H3,(H,31,32)/b17-11+InChIKey
HBLCYWLNWUWQNR-GZTJUZNOSA-NSynonyms
4((4E)4((5(3CHLORO4METHYLPHENYL)FURAN2YL)METHYLIDENE)5OXO3(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL1YL)BENZOICACID
4((4E)4((5(3CHLORO4METHYLPHENYL)FURAN2YL)METHYLIDENE)5OXO3(TRIFLUOROMETHYL)PYRAZOL1YL)BENZOICACID
CC1=C(C=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C(F)(F)F)Cl
InChI=1SC23H14ClF3N2O4c1122314(1018(12)24)199816(3319)111720(23(2526)27)2829(21(17)30)156413(5715)22(31)32h211H1H3(H3132)b1711+
MFCD08673423
O=C1N(N=C(C1=Cc1ccc(o1)c1ccc(c(c1)Cl)C)C(F)(F)F)c1ccc(cc1)C(=O)O
ZINC000030822643
ZINC30822643
Check stock
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