Vitas-M small molecule compound

N-cycloheptyl-N~2~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-(methylsulfonyl)alaninamide

Catalog ID
STL259646
SMILES O=C(C(N(S(=O)(=O)C)c1ccc2c(c1)OCCO2)C)NC1CCCCCC1

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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 C19H28N2O5S MW 396.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H28N2O5S/c1-14(19(22)20-15-7-5-3-4-6-8-15)21(27(2,23)24)16-9-10-17-18(13-16)26-12-11-25-17/h9-10,13-15H,3-8,11-12H2,1-2H3,(H,20,22)
InChIKey
LLWAMCSESVSVGH-UHFFFAOYSA-N
Synonyms

CC(C(=O)NC1CCCCCC1)N(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C
InChI=1SC19H28N2O5Sc114(19(22)201575346815)21(27(223)24)169101718(1316)2612112517h9101315H381112H212H3(H2022)
MFCD09872299
Ncycloheptyl2(23dihydro14benzodioxin6yl(methylsulfonyl)amino)propanamide
NcycloheptylN~2~(23dihydro14benzodioxin6yl)N~2~(methylsulfonyl)alaninamide
NCYCLOHEPTYLN2(23DIHYDRO14BENZODIOXIN6YL)N2(METHYLSULFONYL)ALANINAMIDE
ZINC000012380593
ZINC000012380594

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Available files

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