Vitas-M small molecule compound
1,3-benzodioxol-5-yl 4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoate
Catalog ID
STK676995
SMILES CC1CCN(CC1)S(=O)(=O)c1cc(ccc1C)C(=O)Oc1ccc2c(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 C21H23NO6S MW 417.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO6S/c1-14-7-9-22(10-8-14)29(24,25)20-11-16(4-3-15(20)2)21(23)28-17-5-6-18-19(12-17)27-13-26-18/h3-6,11-12,14H,7-10,13H2,1-2H3InChIKey
ADAKMEROGQMZKM-UHFFFAOYSA-NSynonyms
13benzodioxol5yl4methyl3((4methylpiperidin1yl)sulfonyl)benzoate
13BENZODIOXOL5YL4METHYL3(4METHYLPIPERIDIN1YL)SULFONYLBENZOATE
CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4)C
InChI=1SC21H23NO6Sc1147922(10814)29(2425)201116(4315(20)2)21(23)2817561819(1217)27132618h36111214H71013H212H3
MFCD02648186
ZINC000001067358
ZINC01067358
ZINC1067358
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