Vitas-M small molecule compound
4-[(4Z)-4-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STL432047
SMILES O=C1N(N=C(/C/1=C/c1ccc(o1)c1cc(ccc1C)[N+](=O)[O-])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 C23H14F3N3O6 MW 485.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14F3N3O6/c1-12-2-5-15(29(33)34)10-17(12)19-9-8-16(35-19)11-18-20(23(24,25)26)27-28(21(18)30)14-6-3-13(4-7-14)22(31)32/h2-11H,1H3,(H,31,32)/b18-11-InChIKey
DCBBGTHVCVEDFV-WQRHYEAKSA-NSynonyms
4((4Z)4((5(2methyl5nitrophenyl)furan2yl)methylidene)5oxo3(trifluoromethyl)45dihydro1Hpyrazol1yl)benzoicacid
4((4Z)4((5(2METHYL5NITROPHENYL)FURAN2YL)METHYLIDENE)5OXO3(TRIFLUOROMETHYL)PYRAZOL1YL)BENZOICACID
CC1=C(C=C(C=C1)(N+)(=O)(O))C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C(F)(F)F
InChI=1SC23H14F3N3O6c1122515(29(33)34)1017(12)199816(3519)111820(23(2425)26)2728(21(18)30)146313(4714)22(31)32h211H1H3(H3132)b1811
MFCD04069294
O=C1N(N=C(C1=Cc1ccc(o1)c1cc(ccc1C)(N+)(=O)(O))C(F)(F)F)c1ccc(cc1)C(=O)O
ZINC000016347957
ZINC16347957
Check stock
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