Vitas-M small molecule compound

3-(azepan-1-ylcarbonyl)-N-(1,3-benzodioxol-5-yl)-4-methoxybenzenesulfonamide

Catalog ID
STL302530
SMILES COc1ccc(cc1C(=O)N1CCCCCC1)S(=O)(=O)Nc1ccc2c(c1)OCO2

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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 C21H24N2O6S MW 432.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O6S/c1-27-18-9-7-16(13-17(18)21(24)23-10-4-2-3-5-11-23)30(25,26)22-15-6-8-19-20(12-15)29-14-28-19/h6-9,12-13,22H,2-5,10-11,14H2,1H3
InChIKey
HYTVYLXMVCFJSK-UHFFFAOYSA-N
Synonyms

3(azepan1ylcarbonyl)N(13benzodioxol5yl)4methoxybenzenesulfonamide
3(azepane1carbonyl)N(13benzodioxol5yl)4methoxybenzenesulfonamide
COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCO3)C(=O)N4CCCCCC4
InChI=1SC21H24N2O6Sc127189716(1317(18)21(24)231042351123)30(2526)2215681920(1215)29142819h69121322H25101114H21H3
MFCD09440912
ZINC000020568012
ZINC20568012

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Available files

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