Vitas-M small molecule compound
2-({(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)butanoic acid
Catalog ID
STL295110
SMILES CCC(C(=O)O)N/C=C/1\C(=NN(C1=O)c1ccc(c(c1)C)C)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 C17H21N3O3 MW 315.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O3/c1-5-15(17(22)23)18-9-14-12(4)19-20(16(14)21)13-7-6-10(2)11(3)8-13/h6-9,15,18H,5H2,1-4H3,(H,22,23)/b14-9+InChIKey
PYFYJWOIQJWQMC-NTEUORMPSA-NSynonyms
2(((E)(1(34dimethylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)butanoicacid
2(((E)(1(34dimethylphenyl)3methyl5oxopyrazol4ylidene)methyl)amino)butanoicacid
CCC(C(=O)O)NC=C1C(=NN(C1=O)c1ccc(c(c1)C)C)C
CCC(C(=O)O)NC=C1C(=NN(C1=O)C2=CC(=C(C=C2)C)C)C
InChI=1SC17H21N3O3c1515(17(22)23)1891412(4)1920(16(14)21)137610(2)11(3)813h691518H5H214H3(H2223)b149+
MFCD00819180
ZINC000019143466
ZINC000019143470
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