Vitas-M small molecule compound

(4Z)-4-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-ethoxybenzylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL174243
SMILES CCOc1cc(/C=C\2/C(=NN(C2=O)c2ccc(cc2)[N+](=O)[O-])C)cc(c1OCc1ccccc1Cl)Br

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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 C26H21BrClN3O5 MW 570.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrClN3O5/c1-3-35-24-14-17(13-22(27)25(24)36-15-18-6-4-5-7-23(18)28)12-21-16(2)29-30(26(21)32)19-8-10-20(11-9-19)31(33)34/h4-14H,3,15H2,1-2H3/b21-12-
InChIKey
FKIJNEOWICRYSM-MTJSOVHGSA-N
Synonyms
444931-78-6
(4Z)4((3bromo4((2chlorophenyl)methoxy)5ethoxyphenyl)methylidene)5methyl2(4nitrophenyl)pyrazol3one
(4Z)4(3bromo4((2chlorobenzyl)oxy)5ethoxybenzylidene)5methyl2(4nitrophenyl)24dihydro3Hpyrazol3one
444931786
CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)(N+)(=O)(O))C)Br)OCC4=CC=CC=C4Cl
CCOc1cc(C=C2C(=NN(C2=O)c2ccc(cc2)(N+)(=O)(O))C)cc(c1OCc1ccccc1Cl)Br
InChI=1SC26H21BrClN3O5c1335241417(1322(27)25(24)361518645723(18)28)122116(2)2930(26(21)32)1981020(11919)31(33)34h414H315H212H3b2112
MFCD02606714
ZINC000103253532
ZINC103253532

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Available files

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