Vitas-M small molecule compound

N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-(3-bromo-4-methoxybenzylidene)hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide

Catalog ID
STK046479
SMILES COc1ccc(cc1Br)/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=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 C25H20BrN3O5 MW 522.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrN3O5/c1-32-21-9-8-17(11-19(21)26)14-27-29-25(31)20(28-24(30)18-5-3-2-4-6-18)12-16-7-10-22-23(13-16)34-15-33-22/h2-14H,15H2,1H3,(H,28,30)(H,29,31)/b20-12+,27-14+
InChIKey
YDNYMZTUUQVFQY-MNXJUHOTSA-N
Synonyms

COC1=C(C=C(C=C1)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)Br
COc1ccc(cc1Br)C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1
InChI=1SC25H20BrN3O5c132219817(1119(21)26)14272925(31)20(2824(30)185324618)12167102223(1316)34153322h214H15H21H3(H2830)(H2931)b2012+2714+
MFCD00637219
N((1E)1(13BENZODIOXOL5YL)3((2E)2(3BROMO4METHOXYBENZYLIDENE)HYDRAZINYL)3OXOPROP1EN2YL)BENZAMIDE
N((E)1(13benzodioxol5yl)3((2E)2((3bromo4methoxyphenyl)methylidene)hydrazinyl)3oxoprop1en2yl)benzamide
STK046479
ZINC000097958620
ZINC101435338

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Available files

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