Vitas-M small molecule compound

1-[(1,1-dioxido-1,2-benzothiazol-3-yl)(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol

Catalog ID
STK803229
SMILES COc1ccc(cc1)OCC(CN(C1=NS(=O)(=O)c2c1cccc2)C)O

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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 C18H20N2O5S MW 376.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O5S/c1-20(18-16-5-3-4-6-17(16)26(22,23)19-18)11-13(21)12-25-15-9-7-14(24-2)8-10-15/h3-10,13,21H,11-12H2,1-2H3
InChIKey
OCXPWXJAHUKGMO-UHFFFAOYSA-N
Synonyms
591212-83-8
1((11dioxido12benzothiazol3yl)(methyl)amino)3(4methoxyphenoxy)propan2ol
1((11DIOXO12BENZOTHIAZOL3YL)METHYLAMINO)3(4METHOXYPHENOXY)PROPAN2OL
591212838
CN(CC(COC1=CC=C(C=C1)OC)O)C2=NS(=O)(=O)C3=CC=CC=C32
InChI=1SC18H20N2O5Sc120(1816534617(16)26(2223)1918)1113(21)1225159714(242)81015h3101321H1112H212H3
MFCD04083641
ZINC000001461782
ZINC000001461783

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Available files

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