Vitas-M small molecule compound

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

Catalog ID
STL172191
SMILES Brc1ccc(c(c1)/C=C/1\C(=O)N(N=C1c1ccccc1)c1ccc(cc1)[N+](=O)[O-])OCc1ccccc1Cl

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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 C29H19BrClN3O4 MW 588.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H19BrClN3O4/c30-22-10-15-27(38-18-20-8-4-5-9-26(20)31)21(16-22)17-25-28(19-6-2-1-3-7-19)32-33(29(25)35)23-11-13-24(14-12-23)34(36)37/h1-17H,18H2/b25-17-
InChIKey
BWYARASZNJWVPY-UQQQWYQISA-N
Synonyms

(4Z)4((5bromo2((2chlorophenyl)methoxy)phenyl)methylidene)2(4nitrophenyl)5phenylpyrazol3one
(4Z)4(5bromo2((2chlorobenzyl)oxy)benzylidene)2(4nitrophenyl)5phenyl24dihydro3Hpyrazol3one
Brc1ccc(c(c1)C=C1C(=O)N(N=C1c1ccccc1)c1ccc(cc1)(N+)(=O)(O))OCc1ccccc1Cl
C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=C(C=CC(=C3)Br)OCC4=CC=CC=C4Cl)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC29H19BrClN3O4c3022101527(381820845926(20)31)21(1622)172528(196213719)3233(29(25)35)23111324(141223)34(36)37h117H18H2b2517
MFCD04047455
ZINC000101057257
ZINC101057257

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Available files

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