Vitas-M small molecule compound

N-(2-{7-methoxy-6-[(E)-{2-[(4-methylphenyl)sulfonyl]hydrazinylidene}methyl]-1,3-benzodioxol-5-yl}ethyl)-N-methylpropanamide

Catalog ID
STK583355
SMILES CCC(=O)N(CCc1cc2OCOc2c(c1/C=N/NS(=O)(=O)c1ccc(cc1)C)OC)C

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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 C22H27N3O6S MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O6S/c1-5-20(26)25(3)11-10-16-12-19-22(31-14-30-19)21(29-4)18(16)13-23-24-32(27,28)17-8-6-15(2)7-9-17/h6-9,12-13,24H,5,10-11,14H2,1-4H3/b23-13+
InChIKey
UWLLRMHBTAEACJ-YDZHTSKRSA-N
Synonyms
850802-21-0
(E)N(2(7methoxy6((2tosylhydrazono)methyl)benzo(d)(13)dioxol5yl)ethyl)Nmethylpropionamide
850802210
CCC(=O)N(C)CCC1=CC2=C(C(=C1C=NNS(=O)(=O)C3=CC=C(C=C3)C)OC)OCO2
CCC(=O)N(CCc1cc2OCOc2c(c1C=NNS(=O)(=O)c1ccc(cc1)C)OC)C
InChI=1SC22H27N3O6Sc1520(26)25(3)111016121922(31143019)21(294)18(16)13232432(2728)178615(2)7917h69121324H5101114H214H3b2313+
MFCD05695592
N(2(7METHOXY6((E)((4METHYLPHENYL)SULFONYLHYDRAZINYLIDENE)METHYL)13BENZODIOXOL5YL)ETHYL)NMETHYLPROPANAMIDE
N(2(7methoxy6((E)(2((4methylphenyl)sulfonyl)hydrazinylidene)methyl)13benzodioxol5yl)ethyl)Nmethylpropanamide
ZINC000002437644
ZINC15978590

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Available files

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