Vitas-M small molecule compound

5-({(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2-hydroxybenzoic acid

Catalog ID
STL295055
SMILES CC1=NN(C(=O)/C/1=C/Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)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 C20H19N3O4 MW 365.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4/c1-11-4-6-15(8-12(11)2)23-19(25)17(13(3)22-23)10-21-14-5-7-18(24)16(9-14)20(26)27/h4-10,21,24H,1-3H3,(H,26,27)/b17-10+
InChIKey
KWJLUDJDVNVVFR-LICLKQGHSA-N
Synonyms

5(((E)(1(34dimethylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)2hydroxybenzoicacid
5(((E)(1(34dimethylphenyl)3methyl5oxopyrazol4ylidene)methyl)amino)2hydroxybenzoicacid
CC1=C(C=C(C=C1)N2C(=O)C(=CNC3=CC(=C(C=C3)O)C(=O)O)C(=N2)C)C
CC1=NN(C(=O)C1=CNc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)C
InChI=1SC20H19N3O4c1114615(812(11)2)2319(25)17(13(3)2223)1021145718(24)16(914)20(26)27h4102124H13H3(H2627)b1710+
MFCD01018248
ZINC000038186490
ZINC38186490

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Available files

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