Vitas-M small molecule compound

N-[3-(2,3,4,4a,6,11b-hexahydro-1H-[1,3]benzodioxolo[5,6-c]chromen-6-yl)phenyl]methanesulfonamide

Catalog ID
STK665109
SMILES CS(=O)(=O)Nc1cccc(c1)C1OC2CCCCC2c2c1cc1OCOc1c2

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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 C21H23NO5S MW 401.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO5S/c1-28(23,24)22-14-6-4-5-13(9-14)21-17-11-20-19(25-12-26-20)10-16(17)15-7-2-3-8-18(15)27-21/h4-6,9-11,15,18,21-22H,2-3,7-8,12H2,1H3
InChIKey
KGJGYOSDBALCHF-UHFFFAOYSA-N
Synonyms

CS(=O)(=O)NC1=CC=CC(=C1)C2C3=CC4=C(C=C3C5CCCCC5O2)OCO4
InChI=1SC21H23NO5Sc128(2324)221464513(914)2117112019(25122620)1016(17)15723818(15)2721h4691115182122H237812H21H3
MFCD12034013
N(3(2344a611bhexahydro1H(13)benzodioxolo(56c)chromen6yl)phenyl)methanesulfonamide
ZINC000015108810
ZINC000245326453

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Available files

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