Vitas-M small molecule compound
(4Z)-4-{4-[(4-fluorobenzyl)oxy]benzylidene}-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL426826
SMILES Fc1ccc(cc1)COc1ccc(cc1)/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/c30-23-10-6-21(7-11-23)19-37-26-16-8-20(9-17-26)18-27-28(22-4-2-1-3-5-22)31-32(29(27)34)24-12-14-25(15-13-24)33(35)36/h1-18H,19H2/b27-18-InChIKey
VKAYWIZBSNCWHB-IMRQLAEWSA-NSynonyms
(4Z)4((4((4FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)2(4NITROPHENYL)5PHENYLPYRAZOL3ONE
(4Z)4(4((4fluorobenzyl)oxy)benzylidene)2(4nitrophenyl)5phenyl24dihydro3Hpyrazol3one
C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=CC=C(C=C3)OCC4=CC=C(C=C4)F)C5=CC=C(C=C5)(N+)(=O)(O)
Fc1ccc(cc1)COc1ccc(cc1)C=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))c1ccccc1
InChI=1SC29H20FN3O4c302310621(71123)19372616820(91726)182728(224213522)3132(29(27)34)24121425(151324)33(35)36h118H19H2b2718
MFCD30710425
ZINC000017241559
ZINC17241559
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