Vitas-M small molecule compound
(4E)-4-[2-(hexyloxy)benzylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK732201
SMILES CCCCCCOc1ccccc1/C=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])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 C28H27N3O4 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O4/c1-2-3-4-10-19-35-26-14-9-8-13-22(26)20-25-27(21-11-6-5-7-12-21)29-30(28(25)32)23-15-17-24(18-16-23)31(33)34/h5-9,11-18,20H,2-4,10,19H2,1H3/b25-20+InChIKey
MWTOPWWPENVKHS-LKUDQCMESA-NSynonyms
(4E)4((2hexoxyphenyl)methylidene)2(4nitrophenyl)5phenylpyrazol3one
(4E)4(2(hexyloxy)benzylidene)2(4nitrophenyl)5phenyl24dihydro3Hpyrazol3one
CCCCCCOC1=CC=CC=C1C=C2C(=NN(C2=O)C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4
CCCCCCOc1ccccc1C=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))c1ccccc1
InChI=1SC28H27N3O4c12341019352614981322(26)202527(21116571221)2930(28(25)32)23151724(181623)31(33)34h59111820H241019H21H3b2520+
MFCD13371811
ZINC000034702756
ZINC34702756
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