Vitas-M small molecule compound
2-chloro-5-({(Z)-[1-(4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
Catalog ID
STK957891
SMILES Fc1ccc(cc1)N1N=C(/C(=C/Nc2ccc(c(c2)C(=O)O)Cl)/C1=O)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 C18H13ClFN3O3 MW 373.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClFN3O3/c1-10-15(9-21-12-4-7-16(19)14(8-12)18(25)26)17(24)23(22-10)13-5-2-11(20)3-6-13/h2-9,21H,1H3,(H,25,26)/b15-9-InChIKey
JPLXEMSPURQRRE-DHDCSXOGSA-NSynonyms
352701-91-82chloro5(((Z)(1(4fluorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)benzoicacid
2CHLORO5(((Z)(1(4FLUOROPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)AMINO)BENZOICACID
352701918
CC1=NN(C(=O)C1=CNC2=CC(=C(C=C2)Cl)C(=O)O)C3=CC=C(C=C3)F
Fc1ccc(cc1)N1N=C(C(=CNc2ccc(c(c2)C(=O)O)Cl)C1=O)C
InChI=1SC18H13ClFN3O3c11015(921124716(19)14(812)18(25)26)17(24)23(2210)135211(20)3613h2921H1H3(H2526)b159
MFCD01648034
ZINC000015930648
ZINC15930648
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