Vitas-M small molecule compound
(4E)-4-{2-[(2-chlorobenzyl)oxy]benzylidene}-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL419939
SMILES O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)/C(=NN1c1ccc(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 C29H20ClN3O4 MW 509.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20ClN3O4/c30-26-12-6-4-11-22(26)19-37-27-13-7-5-10-21(27)18-25-28(20-8-2-1-3-9-20)31-32(29(25)34)23-14-16-24(17-15-23)33(35)36/h1-18H,19H2/b25-18+InChIKey
LAHAAMVOLVWARA-XIEYBQDHSA-NSynonyms
(4E)4((2((2chlorophenyl)methoxy)phenyl)methylidene)2(4nitrophenyl)5phenylpyrazol3one
(4E)4(2((2chlorobenzyl)oxy)benzylidene)2(4nitrophenyl)5phenyl24dihydro3Hpyrazol3one
4(2((2CHLOROBENZYL)OXY)BENZYLIDENE)2(4NITROPHENYL)5PHENYL24DIHYDRO3HPYRAZOL3ONE
C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=CC=CC=C3OCC4=CC=CC=C4Cl)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC29H20ClN3O4c302612641122(26)19372713751021(27)182528(208213920)3132(29(25)34)23141624(171523)33(35)36h118H19H2b2518+
MFCD01465311
O=C1C(=Cc2ccccc2OCc2ccccc2Cl)C(=NN1c1ccc(cc1)(N+)(=O)(O))c1ccccc1
ZINC000008445134
ZINC08445134
ZINC8445134
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