Vitas-M small molecule compound
4-({(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
Catalog ID
STL295762
SMILES Ic1ccc(cc1)N1N=C(/C(=C\Nc2ccc(cc2)C(=O)O)/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 C18H14IN3O3 MW 447.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14IN3O3/c1-11-16(10-20-14-6-2-12(3-7-14)18(24)25)17(23)22(21-11)15-8-4-13(19)5-9-15/h2-10,20H,1H3,(H,24,25)/b16-10+InChIKey
HLIIFWLUUZOPLN-MHWRWJLKSA-NSynonyms
4(((E)(1(4iodophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)benzoicacid
4(((E)(1(4iodophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)benzoicacid
CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)I
Ic1ccc(cc1)N1N=C(C(=CNc2ccc(cc2)C(=O)O)C1=O)C
InChI=1SC18H14IN3O3c11116(1020146212(3714)18(24)25)17(23)22(2111)158413(19)5915h21020H1H3(H2425)b1610+
MFCD28033128
ZINC000101122966
ZINC101122966
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