Vitas-M small molecule compound
(4E)-5-(morpholin-4-yl)-4-(3-nitrobenzylidene)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK333986
SMILES O=C1N(N=C(/C/1=C\c1cccc(c1)[N+](=O)[O-])N1CCOCC1)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 C20H17N5O6 MW 423.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O6/c26-20-18(13-14-2-1-3-17(12-14)25(29)30)19(22-8-10-31-11-9-22)21-23(20)15-4-6-16(7-5-15)24(27)28/h1-7,12-13H,8-11H2/b18-13+InChIKey
UPDKHKBGAGMXEM-QGOAFFKASA-NSynonyms
(4E)5(morpholin4yl)4(3nitrobenzylidene)2(4nitrophenyl)24dihydro3Hpyrazol3one
(4E)5MORPHOLIN4YL2(4NITROPHENYL)4((3NITROPHENYL)METHYLIDENE)PYRAZOL3ONE
C1COCCN1C2=NN(C(=O)C2=CC3=CC(=CC=C3)(N+)(=O)(O))C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC20H17N5O6c262018(131421317(1214)25(29)30)19(228103111922)2123(20)154616(7515)24(27)28h171213H811H2b1813+
MFCD01572953
O=C1N(N=C(C1=Cc1cccc(c1)(N+)(=O)(O))N1CCOCC1)c1ccc(cc1)(N+)(=O)(O)
ZINC000029747705
ZINC29747705
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