Vitas-M small molecule compound
(4E)-2-(2,4-dimethoxyphenyl)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Catalog ID
STK578103
SMILES COc1ccc(c(c1)OC)N1C(=O)/C(=C/NC2CCS(=O)(=O)C2)/c2c(C1=O)cccc2
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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 C22H22N2O6S MW 442.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6S/c1-29-15-7-8-19(20(11-15)30-2)24-21(25)17-6-4-3-5-16(17)18(22(24)26)12-23-14-9-10-31(27,28)13-14/h3-8,11-12,14,23H,9-10,13H2,1-2H3/b18-12+InChIKey
PDDXXBCNVRDFIM-LDADJPATSA-NSynonyms
(4E)2(24dimethoxyphenyl)4(((11dioxidotetrahydrothiophen3yl)amino)methylidene)isoquinoline13(2H4H)dione
(4E)2(24dimethoxyphenyl)4(((11dioxothiolan3yl)amino)methylidene)isoquinoline13dione
(E)2(24dimethoxyphenyl)4(((11dioxidotetrahydrothiophen3yl)amino)methylene)isoquinoline13(2H4H)dione
COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4CCS(=O)(=O)C4)C2=O)OC
COc1ccc(c(c1)OC)N1C(=O)C(=CNC2CCS(=O)(=O)C2)c2c(C1=O)cccc2
InChI=1SC22H22N2O6Sc129157819(20(1115)302)2421(25)17643516(17)18(22(24)26)12231491031(2728)1314h3811121423H91013H212H3b1812+
MFCD06603230
ZINC000019881319
ZINC000019881322
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