Vitas-M small molecule compound
2-chloro-5-[(4Z)-4-(4-ethylbenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STL329560
SMILES CCc1ccc(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 C20H17ClN2O3 MW 368.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O3/c1-3-13-4-6-14(7-5-13)10-16-12(2)22-23(19(16)24)15-8-9-18(21)17(11-15)20(25)26/h4-11H,3H2,1-2H3,(H,25,26)/b16-10-InChIKey
OPMAEOOCXAVUKX-YBEGLDIGSA-NSynonyms
(Z)2chloro5(4(4ethylbenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
2CHLORO5((4Z)4((4ETHYLPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
2chloro5((4Z)4(4ethylbenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
CCC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)C
CCc1ccc(cc1)C=C1C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
InChI=1SC20H17ClN2O3c13134614(7513)101612(2)2223(19(16)24)158918(21)17(1115)20(25)26h411H3H212H3(H2526)b1610
MFCD01158547
ZINC000004837034
ZINC4837034
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