Vitas-M small molecule compound
(4Z)-2-(3-chloro-4-methylphenyl)-4-(3-methoxy-4-propoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL431335
SMILES CCCOc1ccc(cc1OC)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)Cl)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 C22H23ClN2O3 MW 398.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN2O3/c1-5-10-28-20-9-7-16(12-21(20)27-4)11-18-15(3)24-25(22(18)26)17-8-6-14(2)19(23)13-17/h6-9,11-13H,5,10H2,1-4H3/b18-11-InChIKey
WKPHNVLMHMDSQM-WQRHYEAKSA-NSynonyms
(4Z)2(3CHLORO4METHYLPHENYL)4((3METHOXY4PROPOXYPHENYL)METHYLIDENE)5METHYLPYRAZOL3ONE
(4Z)2(3chloro4methylphenyl)4(3methoxy4propoxybenzylidene)5methyl24dihydro3Hpyrazol3one
CCCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC(=C(C=C3)C)Cl)C)OC
CCCOc1ccc(cc1OC)C=C1C(=NN(C1=O)c1ccc(c(c1)Cl)C)C
InChI=1SC22H23ClN2O3c151028209716(1221(20)274)111815(3)2425(22(18)26)178614(2)19(23)1317h691113H510H214H3b1811
MFCD02614696
ZINC000004844996
ZINC04844996
ZINC4844996
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