Vitas-M small molecule compound

(4E)-4-(3-nitrobenzylidene)-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK868259
SMILES CCCC1=NN(C(=O)/C/1=C/c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]

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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 C19H16N4O5 MW 380.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O5/c1-2-4-18-17(12-13-5-3-6-16(11-13)23(27)28)19(24)21(20-18)14-7-9-15(10-8-14)22(25)26/h3,5-12H,2,4H2,1H3/b17-12+
InChIKey
PITAWABLJDXREC-SFQUDFHCSA-N
Synonyms
371215-27-9
(4E)2(4NITROPHENYL)4((3NITROPHENYL)METHYLIDENE)5PROPYLPYRAZOL3ONE
(4E)4(3nitrobenzylidene)2(4nitrophenyl)5propyl24dihydro3Hpyrazol3one
(E)4(3nitrobenzylidene)1(4nitrophenyl)3propyl1Hpyrazol5(4H)one
371215279
CCCC1=NN(C(=O)C1=Cc1cccc(c1)(N+)(=O)(O))c1ccc(cc1)(N+)(=O)(O)
CCCC1=NN(C(=O)C1=CC2=CC(=CC=C2)(N+)(=O)(O))C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC19H16N4O5c1241817(121353616(1113)23(27)28)19(24)21(2018)147915(10814)22(25)26h3512H24H21H3b1712+
MFCD01810970
ZINC000100163341
ZINC100163341

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Available files

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