Vitas-M small molecule compound
(4E)-4-{2-[(4-fluorobenzyl)oxy]benzylidene}-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL427230
SMILES Fc1ccc(cc1)COc1ccccc1/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 C29H20FN3O4 MW 493.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20FN3O4/c30-23-12-10-20(11-13-23)19-37-27-9-5-4-8-22(27)18-26-28(21-6-2-1-3-7-21)31-32(29(26)34)24-14-16-25(17-15-24)33(35)36/h1-18H,19H2/b26-18+InChIKey
PNZVOQFGLCBZLA-NLRVBDNBSA-NSynonyms
(4E)4((2((4fluorophenyl)methoxy)phenyl)methylidene)2(4nitrophenyl)5phenylpyrazol3one
(4E)4(2((4fluorobenzyl)oxy)benzylidene)2(4nitrophenyl)5phenyl24dihydro3Hpyrazol3one
C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=CC=CC=C3OCC4=CC=C(C=C4)F)C5=CC=C(C=C5)(N+)(=O)(O)
Fc1ccc(cc1)COc1ccccc1C=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))c1ccccc1
InChI=1SC29H20FN3O4c3023121020(111323)193727954822(27)182628(216213721)3132(29(26)34)24141625(171524)33(35)36h118H19H2b2618+
MFCD30710506
ZINC000059435918
ZINC59435918
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