Vitas-M small molecule compound
(4E)-4-(4-chlorobenzylidene)-5-(morpholin-4-yl)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK835048
SMILES Clc1ccc(cc1)/C=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])N1CCOCC1
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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 C20H17ClN4O4 MW 412.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O4/c21-15-3-1-14(2-4-15)13-18-19(23-9-11-29-12-10-23)22-24(20(18)26)16-5-7-17(8-6-16)25(27)28/h1-8,13H,9-12H2/b18-13+InChIKey
HWLFXXQFOWNYRC-QGOAFFKASA-NSynonyms
311330-62-8(4E)4((4chlorophenyl)methylidene)5morpholin4yl2(4nitrophenyl)pyrazol3one
(4E)4(4chlorobenzylidene)5(morpholin4yl)2(4nitrophenyl)24dihydro3Hpyrazol3one
(E)4(4chlorobenzylidene)3morpholino1(4nitrophenyl)1Hpyrazol5(4H)one
311330628
C1COCCN1C2=NN(C(=O)C2=CC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)(N+)(=O)(O)
Clc1ccc(cc1)C=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))N1CCOCC1
InChI=1SC20H17ClN4O4c21153114(2415)131819(2391129121023)2224(20(18)26)165717(8616)25(27)28h1813H912H2b1813+
MFCD00824653
ZINC000031895884
ZINC31895884
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