Vitas-M small molecule compound
(4Z)-2-(3,4-dichlorophenyl)-4-(3-methoxy-4-propoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK977466
SMILES CCCOc1ccc(cc1OC)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)Cl)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 C21H20Cl2N2O3 MW 419.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl2N2O3/c1-4-9-28-19-8-5-14(11-20(19)27-3)10-16-13(2)24-25(21(16)26)15-6-7-17(22)18(23)12-15/h5-8,10-12H,4,9H2,1-3H3/b16-10-InChIKey
OURSTCPLOUBCMT-YBEGLDIGSA-NSynonyms
(4Z)2(34dichlorophenyl)4((3methoxy4propoxyphenyl)methylidene)5methylpyrazol3one
(4Z)2(34dichlorophenyl)4(3methoxy4propoxybenzylidene)5methyl24dihydro3Hpyrazol3one
CCCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC(=C(C=C3)Cl)Cl)C)OC
CCCOc1ccc(cc1OC)C=C1C(=NN(C1=O)c1ccc(c(c1)Cl)Cl)C
InChI=1SC21H20Cl2N2O3c14928198514(1120(19)273)101613(2)2425(21(16)26)156717(22)18(23)1215h581012H49H213H3b1610
MFCD03757056
ZINC000033436368
ZINC33436368
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