Vitas-M small molecule compound

6-[(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl]-1,3-benzoxazol-2(3H)-one

Catalog ID
STK613066
SMILES COc1cc2CCN(C(c2cc1OC)c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)[nH]2

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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 C24H22N2O6S MW 466.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O6S/c1-30-21-12-16-10-11-26(23(15-6-4-3-5-7-15)18(16)14-22(21)31-2)33(28,29)17-8-9-19-20(13-17)32-24(27)25-19/h3-9,12-14,23H,10-11H2,1-2H3,(H,25,27)
InChIKey
KPQIIEBXEHMEGM-UHFFFAOYSA-N
Synonyms
850764-51-1
6((67DIMETHOXY1PHENYL34DIHYDRO1HISOQUINOLIN2YL)SULFONYL)3H13BENZOXAZOL2ONE
6((67dimethoxy1phenyl34dihydroisoquinolin2(1H)yl)sulfonyl)13benzoxazol2(3H)one
6((67dimethoxy1phenyl34dihydroisoquinolin2(1H)yl)sulfonyl)benzo(d)oxazol2(3H)one
COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4)C5=CC=CC=C5)OC
COc1cc2CCN(C(c2cc1OC)c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)(nH)2
Registry IDs
MFCD05695243
ZINC000002427062
ZINC000002427063

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Available files

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