Vitas-M small molecule compound
2-({(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)butanoic acid
Catalog ID
STL295265
SMILES CCC(C(=O)O)N/C=C/1\C(=NN(C1=O)c1ccc(cc1)Cl)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 C15H16ClN3O3 MW 321.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16ClN3O3/c1-3-13(15(21)22)17-8-12-9(2)18-19(14(12)20)11-6-4-10(16)5-7-11/h4-8,13,17H,3H2,1-2H3,(H,21,22)/b12-8+InChIKey
UBHYXVBWPGSTLS-XYOKQWHBSA-NSynonyms
2(((E)(1(4chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)butanoicacid
2(((E)(1(4chlorophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)butanoicacid
CCC(C(=O)O)NC=C1C(=NN(C1=O)c1ccc(cc1)Cl)C
CCC(C(=O)O)NC=C1C(=NN(C1=O)C2=CC=C(C=C2)Cl)C
InChI=1SC15H16ClN3O3c1313(15(21)22)178129(2)1819(14(12)20)116410(16)5711h481317H3H212H3(H2122)b128+
MFCD28032930
ZINC000095470965
ZINC000095470966
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