Vitas-M small molecule compound
(4E)-4-{4-[(3-nitrobenzyl)oxy]benzylidene}-2-phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL378766
SMILES CCCC1=NN(C(=O)/C/1=C/c1ccc(cc1)OCc1cccc(c1)[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 C26H23N3O4 MW 441.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O4/c1-2-7-25-24(26(30)28(27-25)21-9-4-3-5-10-21)17-19-12-14-23(15-13-19)33-18-20-8-6-11-22(16-20)29(31)32/h3-6,8-17H,2,7,18H2,1H3/b24-17+InChIKey
QQDNTJJSUPFHHL-JJIBRWJFSA-NSynonyms
(4E)4((4((3NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)2PHENYL5PROPYLPYRAZOL3ONE
(4E)4(4((3nitrobenzyl)oxy)benzylidene)2phenyl5propyl24dihydro3Hpyrazol3one
CCCC1=NN(C(=O)C1=Cc1ccc(cc1)OCc1cccc(c1)(N+)(=O)(O))c1ccccc1
CCCC1=NN(C(=O)C1=CC2=CC=C(C=C2)OCC3=CC(=CC=C3)(N+)(=O)(O))C4=CC=CC=C4
InChI=1SC26H23N3O4c1272524(26(30)28(2725)2194351021)1719121423(151319)331820861122(1620)29(31)32h36817H2718H21H3b2417+
MFCD05041329
ZINC000100324195
ZINC100324195
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