Vitas-M small molecule compound
3-(cyclohexylcarbamoyl)-2-methyl-1-benzofuran-5-yl benzenesulfonate
Catalog ID
STL382993
SMILES O=C(c1c(C)oc2c1cc(cc2)OS(=O)(=O)c1ccccc1)NC1CCCCC1
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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 C22H23NO5S MW 413.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO5S/c1-15-21(22(24)23-16-8-4-2-5-9-16)19-14-17(12-13-20(19)27-15)28-29(25,26)18-10-6-3-7-11-18/h3,6-7,10-14,16H,2,4-5,8-9H2,1H3,(H,23,24)InChIKey
IEMZWRJMAUTXBB-UHFFFAOYSA-NSynonyms
(3(CYCLOHEXYLCARBAMOYL)2METHYL1BENZOFURAN5YL)BENZENESULFONATE
3(cyclohexylcarbamoyl)2methyl1benzofuran5ylbenzenesulfonate
CC1=C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C3=CC=CC=C3)C(=O)NC4CCCCC4
InChI=1SC22H23NO5Sc11521(22(24)23168425916)191417(121320(19)2715)2829(2526)18106371118h367101416H24589H21H3(H2324)
MFCD03217471
ZINC000005881627
ZINC5881627
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