Vitas-M small molecule compound
2-methoxy-5-{(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl acetate
Catalog ID
STL412389
SMILES COc1ccc(cc1OC(=O)C)/C=C\1/C(=NN(C1=O)c1ccc(cc1)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 C21H20N2O4 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O4/c1-13-5-8-17(9-6-13)23-21(25)18(14(2)22-23)11-16-7-10-19(26-4)20(12-16)27-15(3)24/h5-12H,1-4H3/b18-11-InChIKey
CTKYAQCIVXVNPU-WQRHYEAKSA-NSynonyms
(2methoxy5((Z)(3methyl1(4methylphenyl)5oxopyrazol4ylidene)methyl)phenyl)acetate
2methoxy5((Z)(3methyl1(4methylphenyl)5oxo15dihydro4Hpyrazol4ylidene)methyl)phenylacetate
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC)OC(=O)C)C(=N2)C
COc1ccc(cc1OC(=O)C)C=C1C(=NN(C1=O)c1ccc(cc1)C)C
InChI=1SC21H20N2O4c1135817(9613)2321(25)18(14(2)2223)111671019(264)20(1216)2715(3)24h512H14H3b1811
MFCD30706808
ZINC000008569877
ZINC8569877
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