Vitas-M small molecule compound

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

Catalog ID
STK044349
SMILES COc1cc(Cl)cc(c1O)/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 C25H20ClN3O6 MW 493.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN3O6/c1-33-22-12-18(26)11-17(23(22)30)13-27-29-25(32)19(28-24(31)16-5-3-2-4-6-16)9-15-7-8-20-21(10-15)35-14-34-20/h2-13,30H,14H2,1H3,(H,28,31)(H,29,32)/b19-9+,27-13+
InChIKey
BVWXCCIXEYFYOI-IKRKAOFXSA-N
Synonyms

COc1cc(Cl)cc(c1O)C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1
MFCD01129441
N((1E)1(13benzodioxol5yl)3((2E)2(5chloro2hydroxy3methoxybenzylidene)hydrazinyl)3oxoprop1en2yl)benzamide
STK044349
ZINC000009425675

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.