Vitas-M small molecule compound

(4E)-2-(3,5-dimethylphenyl)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione

Catalog ID
STK582963
SMILES Cc1cc(C)cc(c1)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 C22H22N2O4S MW 410.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4S/c1-14-9-15(2)11-17(10-14)24-21(25)19-6-4-3-5-18(19)20(22(24)26)12-23-16-7-8-29(27,28)13-16/h3-6,9-12,16,23H,7-8,13H2,1-2H3/b20-12+
InChIKey
MPIMKGYFMUXLPS-UDWIEESQSA-N
Synonyms

(4E)2(35dimethylphenyl)4(((11dioxidotetrahydrothiophen3yl)amino)methylidene)isoquinoline13(2H4H)dione
(4E)2(35dimethylphenyl)4(((11dioxothiolan3yl)amino)methylidene)isoquinoline13dione
(E)2(35dimethylphenyl)4(((11dioxidotetrahydrothiophen3yl)amino)methylene)isoquinoline13(2H4H)dione
2(35DIMETHYLPHENYL)4(1(11DIOXOTETRAHYDRO1LAMBDA6THIOPHEN3YLAMINO)METH(E)YLIDENE)4HISOQUINOLINE13DIONE
CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3C(=CNC4CCS(=O)(=O)C4)C2=O)C
Cc1cc(C)cc(c1)N1C(=O)C(=CNC2CCS(=O)(=O)C2)c2c(C1=O)cccc2
InChI=1SC22H22N2O4Sc114915(2)1117(1014)2421(25)19643518(19)20(22(24)26)1223167829(2728)1316h369121623H7813H212H3b2012+
MFCD06605835
ZINC000020519511
ZINC000020519513

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Available files

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