Vitas-M small molecule compound
3-({(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4-methylbenzoic acid
Catalog ID
STL295771
SMILES Ic1ccc(cc1)N1N=C(/C(=C\Nc2cc(ccc2C)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 C19H16IN3O3 MW 461.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16IN3O3/c1-11-3-4-13(19(25)26)9-17(11)21-10-16-12(2)22-23(18(16)24)15-7-5-14(20)6-8-15/h3-10,21H,1-2H3,(H,25,26)/b16-10+InChIKey
NETCQCUCXYPROI-MHWRWJLKSA-NSynonyms
3(((E)(1(4iodophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)4methylbenzoicacid
3(((E)(1(4iodophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)4methylbenzoicacid
CC1=C(C=C(C=C1)C(=O)O)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)I)C
Ic1ccc(cc1)N1N=C(C(=CNc2cc(ccc2C)C(=O)O)C1=O)C
InChI=1SC19H16IN3O3c1113413(19(25)26)917(11)21101612(2)2223(18(16)24)157514(20)6815h31021H12H3(H2526)b1610+
MFCD28033134
ZINC000015931908
ZINC15931908
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