Vitas-M small molecule compound
3-{5-[(Z)-{3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl]furan-2-yl}benzoic acid
Catalog ID
STL431199
SMILES CC1=NN(C(=O)/C/1=C\c1ccc(o1)c1cccc(c1)C(=O)O)c1cccc(c1)C(F)(F)F
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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)17-7-3-6-16(11-17)23(24,25)26)12-18-8-9-20(32-18)14-4-2-5-15(10-14)22(30)31/h2-12H,1H3,(H,30,31)/b19-12-InChIKey
XLFWCHROOHQZQJ-UNOMPAQXSA-NSynonyms
3(5((Z)(3methyl5oxo1(3(trifluoromethyl)phenyl)15dihydro4Hpyrazol4ylidene)methyl)furan2yl)benzoicacid
3(5((Z)(3METHYL5OXO1(3(TRIFLUOROMETHYL)PHENYL)PYRAZOL4YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC1=NN(C(=O)C1=Cc1ccc(o1)c1cccc(c1)C(=O)O)c1cccc(c1)C(F)(F)F
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C4=CC=CC(=C4)C(F)(F)F
InChI=1SC23H15F3N2O4c11319(21(29)28(2713)1773616(1117)23(2425)26)12188920(3218)1442515(1014)22(30)31h212H1H3(H3031)b1912
MFCD03307148
ZINC000022130531
ZINC22130531
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