Vitas-M small molecule compound
2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]phenyl (3-methylphenoxy)acetate
Catalog ID
STL287643
SMILES O=C(Oc1ccccc1NC1=NS(=O)(=O)c2c1cccc2)COc1cccc(c1)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 C22H18N2O5S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O5S/c1-15-7-6-8-16(13-15)28-14-21(25)29-19-11-4-3-10-18(19)23-22-17-9-2-5-12-20(17)30(26,27)24-22/h2-13H,14H2,1H3,(H,23,24)InChIKey
KTGDKVBYBQICIK-UHFFFAOYSA-NSynonyms
(2((11DIOXO12BENZOTHIAZOL3YL)AMINO)PHENYL)2(3METHYLPHENOXY)ACETATE
2((11dioxido12benzothiazol3yl)amino)phenyl(3methylphenoxy)acetate
CC1=CC(=CC=C1)OCC(=O)OC2=CC=CC=C2NC3=NS(=O)(=O)C4=CC=CC=C43
InChI=1SC22H18N2O5Sc11576816(1315)281421(25)291911431018(19)2322179251220(17)30(2627)2422h213H14H21H3(H2324)
MFCD24847765
ZINC000034138764
ZINC34138764
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