Vitas-M small molecule compound

(4Z)-2-(3-chlorophenyl)-5-methyl-4-[4-(morpholin-4-yl)-3-nitrobenzylidene]-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL372365
SMILES Clc1cccc(c1)N1N=C(/C(=C/c2ccc(c(c2)[N+](=O)[O-])N2CCOCC2)/C1=O)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 C21H19ClN4O4 MW 426.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O4/c1-14-18(21(27)25(23-14)17-4-2-3-16(22)13-17)11-15-5-6-19(20(12-15)26(28)29)24-7-9-30-10-8-24/h2-6,11-13H,7-10H2,1H3/b18-11-
InChIKey
ZNTNOINDHSVTCO-WQRHYEAKSA-N
Synonyms

(4Z)2(3CHLOROPHENYL)5METHYL4((4MORPHOLIN4YL3NITROPHENYL)METHYLIDENE)PYRAZOL3ONE
(4Z)2(3chlorophenyl)5methyl4(4(morpholin4yl)3nitrobenzylidene)24dihydro3Hpyrazol3one
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)N3CCOCC3)(N+)(=O)(O))C4=CC(=CC=C4)Cl
Clc1cccc(c1)N1N=C(C(=Cc2ccc(c(c2)(N+)(=O)(O))N2CCOCC2)C1=O)C
InChI=1SC21H19ClN4O4c11418(21(27)25(2314)1742316(22)1317)11155619(20(1215)26(28)29)24793010824h261113H710H21H3b1811
MFCD02906557
ZINC000015659847
ZINC15659847

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Available files

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