Vitas-M small molecule compound

N-(6-acetyl-1,3-benzodioxol-5-yl)-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

Catalog ID
STK666390
SMILES CC(=O)c1cc2OCOc2cc1NS(=O)(=O)c1ccc2c(c1)N(C)C(=O)CO2

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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 C18H16N2O7S MW 404.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O7S/c1-10(21)12-6-16-17(27-9-26-16)7-13(12)19-28(23,24)11-3-4-15-14(5-11)20(2)18(22)8-25-15/h3-7,19H,8-9H2,1-2H3
InChIKey
QOFVAMFVXAAEPJ-UHFFFAOYSA-N
Synonyms

CC(=O)C1=CC2=C(C=C1NS(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4C)OCO2
InChI=1SC18H16N2O7Sc110(21)1261617(2792616)713(12)1928(2324)11341514(511)20(2)18(22)82515h3719H89H212H3
MFCD08142627
N(6ACETYL13BENZODIOXOL5YL)4METHYL3OXO14BENZOXAZINE6SULFONAMIDE
N(6acetyl13benzodioxol5yl)4methyl3oxo34dihydro2H14benzoxazine6sulfonamide
ZINC000006659099
ZINC06659099
ZINC6659099

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Available files

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