Vitas-M small molecule compound

3-[(3-methoxyphenoxy)methyl]-1,2-benzoxazol-6-yl benzenesulfonate

Catalog ID
STK632529
SMILES COc1cccc(c1)OCc1noc2c1ccc(c2)OS(=O)(=O)c1ccccc1

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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 C21H17NO6S MW 411.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17NO6S/c1-25-15-6-5-7-16(12-15)26-14-20-19-11-10-17(13-21(19)27-22-20)28-29(23,24)18-8-3-2-4-9-18/h2-13H,14H2,1H3
InChIKey
RAPYUALPZRGBTG-UHFFFAOYSA-N
Synonyms
1081138-03-5
(3((3methoxyphenoxy)methyl)12benzoxazol6yl)benzenesulfonate
1081138035
3((3methoxyphenoxy)methyl)12benzoxazol6ylbenzenesulfonate
3((3methoxyphenoxy)methyl)benzo(d)isoxazol6ylbenzenesulfonate
COC1=CC(=CC=C1)OCC2=NOC3=C2C=CC(=C3)OS(=O)(=O)C4=CC=CC=C4
InChI=1SC21H17NO6Sc1251565716(1215)26142019111017(1321(19)272220)2829(2324)188324918h213H14H21H3
MFCD12210630
ZINC000020745969
ZINC20745969

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Available files

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