Vitas-M small molecule compound
2-chloro-5-[(4E)-4-(2-fluorobenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STK675326
SMILES CC1=NN(C(=O)/C/1=C/c1ccccc1F)c1ccc(c(c1)C(=O)O)Cl
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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 C18H12ClFN2O3 MW 358.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClFN2O3/c1-10-13(8-11-4-2-3-5-16(11)20)17(23)22(21-10)12-6-7-15(19)14(9-12)18(24)25/h2-9H,1H3,(H,24,25)/b13-8+InChIKey
CWULPOPPJRTXKR-MDWZMJQESA-NSynonyms
2CHLORO5((4E)4((2FLUOROPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
2chloro5((4E)4(2fluorobenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
2CHLORO5(4(2FLUOROBENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)BENZOICACID
CC1=NN(C(=O)C1=Cc1ccccc1F)c1ccc(c(c1)C(=O)O)Cl
CC1=NN(C(=O)C1=CC2=CC=CC=C2F)C3=CC(=C(C=C3)Cl)C(=O)O
InChI=1SC18H12ClFN2O3c11013(811423516(11)20)17(23)22(2110)126715(19)14(912)18(24)25h29H1H3(H2425)b138+
MFCD01359670
ZINC000100077640
ZINC100077640
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