Vitas-M small molecule compound

2-chloro-5-({(E)-[3-methyl-1-(2-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid

Catalog ID
STL294984
SMILES CC1=NN(C(=O)/C/1=C/Nc1ccc(c(c1)C(=O)O)Cl)c1ccccc1C

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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 C19H16ClN3O3 MW 369.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN3O3/c1-11-5-3-4-6-17(11)23-18(24)15(12(2)22-23)10-21-13-7-8-16(20)14(9-13)19(25)26/h3-10,21H,1-2H3,(H,25,26)/b15-10+
InChIKey
DKZTULROYOFUNS-XNTDXEJSSA-N
Synonyms

2chloro5(((E)(3methyl1(2methylphenyl)5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)benzoicacid
2chloro5(((E)(3methyl1(2methylphenyl)5oxopyrazol4ylidene)methyl)amino)benzoicacid
CC1=CC=CC=C1N2C(=O)C(=CNC3=CC(=C(C=C3)Cl)C(=O)O)C(=N2)C
CC1=NN(C(=O)C1=CNc1ccc(c(c1)C(=O)O)Cl)c1ccccc1C
InChI=1SC19H16ClN3O3c111534617(11)2318(24)15(12(2)2223)1021137816(20)14(913)19(25)26h31021H12H3(H2526)b1510+
MFCD00697244
ZINC000095470880
ZINC95470880

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Available files

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