Vitas-M small molecule compound

N-{2-[(2E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl]-2-oxoethyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide (non-preferred name)

Catalog ID
STK525042
SMILES COc1ccc(cc1/C=N/NC(=O)CNC(=O)C1COc2c(O1)cccc2)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 C19H18BrN3O5 MW 448.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrN3O5/c1-26-14-7-6-13(20)8-12(14)9-22-23-18(24)10-21-19(25)17-11-27-15-4-2-3-5-16(15)28-17/h2-9,17H,10-11H2,1H3,(H,21,25)(H,23,24)/b22-9+
InChIKey
WPLIBBQSLIXTPE-LSFURLLWSA-N
Synonyms
372503-69-0
(E)N(2(2(5bromo2methoxybenzylidene)hydrazinyl)2oxoethyl)23dihydrobenzo(b)(14)dioxine2carboxamide
372503690
COC1=C(C=C(C=C1)Br)C=NNC(=O)CNC(=O)C2COC3=CC=CC=C3O2
COc1ccc(cc1C=NNC(=O)CNC(=O)C1COc2c(O1)cccc2)Br
InChI=1SC19H18BrN3O5c126147613(20)812(14)9222318(24)102119(25)17112715423516(15)2817h2917H1011H21H3(H2125)(H2324)b229+
MFCD01147187
N(2((2E)2((5bromo2methoxyphenyl)methylidene)hydrazinyl)2oxoethyl)23dihydro14benzodioxine3carboxamide
N(2((2E)2(5bromo2methoxybenzylidene)hydrazinyl)2oxoethyl)23dihydro14benzodioxine2carboxamide(nonpreferredname)
ZINC000002278072
ZINC000002278074

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Available files

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