Vitas-M small molecule compound
(4E)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}-2-(2-ethylphenyl)isoquinoline-1,3(2H,4H)-dione
Catalog ID
STK578535
SMILES CCc1ccccc1N1C(=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/c1-2-15-7-3-6-10-20(15)24-21(25)18-9-5-4-8-17(18)19(22(24)26)13-23-16-11-12-29(27,28)14-16/h3-10,13,16,23H,2,11-12,14H2,1H3/b19-13+InChIKey
GNVKSPMRJMBLLX-CPNJWEJPSA-NSynonyms
(4E)4(((11dioxidotetrahydrothiophen3yl)amino)methylidene)2(2ethylphenyl)isoquinoline13(2H4H)dione
(4E)4(((11dioxothiolan3yl)amino)methylidene)2(2ethylphenyl)isoquinoline13dione
(E)4(((11dioxidotetrahydrothiophen3yl)amino)methylene)2(2ethylphenyl)isoquinoline13(2H4H)dione
CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=CNC4CCS(=O)(=O)C4)C2=O
CCc1ccccc1N1C(=O)C(=CNC2CCS(=O)(=O)C2)c2c(C1=O)cccc2
InChI=1SC22H22N2O4Sc12157361020(15)2421(25)18954817(18)19(22(24)26)132316111229(2728)1416h310131623H2111214H21H3b1913+
MFCD06599840
ZINC000008484531
ZINC000008484533
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