Vitas-M small molecule compound
2-chloro-5-[(4Z)-4-(4-fluorobenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STK376405
SMILES Fc1ccc(cc1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
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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/c1-10-14(8-11-2-4-12(20)5-3-11)17(23)22(21-10)13-6-7-16(19)15(9-13)18(24)25/h2-9H,1H3,(H,24,25)/b14-8-InChIKey
UPBYBQPTOWSEFO-ZSOIEALJSA-NSynonyms
2CHLORO5((4Z)4((4FLUOROPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
2chloro5((4Z)4(4fluorobenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
CC1=NN(C(=O)C1=CC2=CC=C(C=C2)F)C3=CC(=C(C=C3)Cl)C(=O)O
Fc1ccc(cc1)C=C1C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
InChI=1SC18H12ClFN2O3c11014(8112412(20)5311)17(23)22(2110)136716(19)15(913)18(24)25h29H1H3(H2425)b148
MFCD01788034
ZINC000012412731
ZINC12412731
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