Vitas-M small molecule compound

(4E)-5-methyl-4-[3-nitro-4-(piperidin-1-yl)benzylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL297249
SMILES CC1=NN(C(=O)/C/1=C/c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1)c1ccccc1

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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 C22H22N4O3 MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3/c1-16-19(22(27)25(23-16)18-8-4-2-5-9-18)14-17-10-11-20(21(15-17)26(28)29)24-12-6-3-7-13-24/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3/b19-14+
InChIKey
WISYTIMGRJFFAQ-XMHGGMMESA-N
Synonyms

(4E)5METHYL4((3NITRO4PIPERIDIN1YLPHENYL)METHYLIDENE)2PHENYLPYRAZOL3ONE
(4E)5methyl4(3nitro4(piperidin1yl)benzylidene)2phenyl24dihydro3Hpyrazol3one
CC1=NN(C(=O)C1=Cc1ccc(c(c1)(N+)(=O)(O))N1CCCCC1)c1ccccc1
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)N3CCCCC3)(N+)(=O)(O))C4=CC=CC=C4
InChI=1SC22H22N4O3c11619(22(27)25(2316)188425918)1417101120(21(1517)26(28)29)24126371324h2458111415H3671213H21H3b1914+
MFCD04087118
ZINC000100363312
ZINC100363312

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Available files

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