Vitas-M small molecule compound

4-{[(1,1-dioxido-1,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}-2-methoxyphenol

Catalog ID
STK023461
SMILES COc1cc(ccc1O)CN(C1=NS(=O)(=O)c2c1cccc2)c1ccc(cc1)C

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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 C22H20N2O4S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O4S/c1-15-7-10-17(11-8-15)24(14-16-9-12-19(25)20(13-16)28-2)22-18-5-3-4-6-21(18)29(26,27)23-22/h3-13,25H,14H2,1-2H3
InChIKey
PZLRRBHVJNMXMI-UHFFFAOYSA-N
Synonyms
433941-92-5
3(((4HYDROXY3METHOXYPHENYL)METHYL)(4METHYLPHENYL)AMINO)1L(6)2BENZOTHIAZOLE11DIONE
4(((11DIOXIDO12BENZISOTHIAZOL3YL)(4METHYLPHENYL)AMINO)METHYL)2METHOXYPHENOL
4(((11DIOXIDO12BENZOTHIAZOL3YL)(4METHYLPHENYL)AMINO)METHYL)2METHOXYPHENOL
4((N(11DIOXO12BENZOTHIAZOL3YL)4METHYLANILINO)METHYL)2METHOXYPHENOL
433941925
CC1=CC=C(C=C1)N(CC2=CC(=C(C=C2)O)OC)C3=NS(=O)(=O)C4=CC=CC=C43
COc1cc(ccc1O)CN(C1=NS(=O)(=O)c2c1cccc2)c1ccc(cc1)C
InChI=1SC22H20N2O4Sc11571017(11815)24(141691219(25)20(1316)282)2218534621(18)29(2627)2322h31325H14H212H3
MFCD03270598
STK023461
ZINC000004561770
ZINC04561770
ZINC4561770

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Available files

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