Vitas-M small molecule compound
2-({(Z)-[1-(4-bromo-2,3-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
Catalog ID
STL358636
SMILES CC1=NN(C(=O)/C/1=C\Nc1ccccc1C(=O)O)c1ccc(c(c1C)C)Br
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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 C20H18BrN3O3 MW 428.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3O3/c1-11-12(2)18(9-8-16(11)21)24-19(25)15(13(3)23-24)10-22-17-7-5-4-6-14(17)20(26)27/h4-10,22H,1-3H3,(H,26,27)/b15-10-InChIKey
ZSHVMJLGUMRKBU-GDNBJRDFSA-NSynonyms
2(((Z)(1(4bromo23dimethylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)benzoicacid
2(((Z)(1(4bromo23dimethylphenyl)3methyl5oxopyrazol4ylidene)methyl)amino)benzoicacid
CC1=C(C=CC(=C1C)Br)N2C(=O)C(=CNC3=CC=CC=C3C(=O)O)C(=N2)C
CC1=NN(C(=O)C1=CNc1ccccc1C(=O)O)c1ccc(c(c1C)C)Br
InChI=1SC20H18BrN3O3c11112(2)18(9816(11)21)2419(25)15(13(3)2324)102217754614(17)20(26)27h41022H13H3(H2627)b1510
MFCD14710896
ZINC000020036783
ZINC20036783
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