Vitas-M small molecule compound

N-[2-(7-methoxy-6-{(E)-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]methyl}-1,3-benzodioxol-5-yl)ethyl]-N-methylacetamide

Catalog ID
STK594196
SMILES COc1c(/C=N/NC(=O)c2ccncc2)c(CCN(C(=O)C)C)cc2c1OCO2

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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 C20H22N4O5 MW 398.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O5/c1-13(25)24(2)9-6-15-10-17-19(29-12-28-17)18(27-3)16(15)11-22-23-20(26)14-4-7-21-8-5-14/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,23,26)/b22-11+
InChIKey
ROURMTRRAXXYBB-SSDVNMTOSA-N
Synonyms
877799-72-9
(E)N(2(6((2isonicotinoylhydrazono)methyl)7methoxybenzo(d)(13)dioxol5yl)ethyl)Nmethylacetamide
877799729
CC(=O)N(C)CCC1=CC2=C(C(=C1C=NNC(=O)C3=CC=NC=C3)OC)OCO2
COc1c(C=NNC(=O)c2ccncc2)c(CCN(C(=O)C)C)cc2c1OCO2
InChI=1SC20H22N4O5c113(25)24(2)9615101719(29122817)18(273)16(15)11222320(26)1447218514h45781011H6912H213H3(H2326)b2211+
MFCD05703779
N((E)(6(2(acetyl(methyl)amino)ethyl)4methoxy13benzodioxol5yl)methylideneamino)pyridine4carboxamide
N(2(7methoxy6((E)(2(pyridin4ylcarbonyl)hydrazinylidene)methyl)13benzodioxol5yl)ethyl)Nmethylacetamide
N(2(7METHOXY6((PYRIDINE4CARBONYL)HYDRAZONOMETHYL)BENZO(13)DIOXOL5YL)ETHYL)NMETHYLACETAMIDE
ZINC000005574894
ZINC13142337

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Available files

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