Vitas-M small molecule compound
(4E)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Catalog ID
STK596374
SMILES COc1ccccc1N1C(=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 C21H20N2O5S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S/c1-28-19-9-5-4-8-18(19)23-20(24)16-7-3-2-6-15(16)17(21(23)25)12-22-14-10-11-29(26,27)13-14/h2-9,12,14,22H,10-11,13H2,1H3/b17-12+InChIKey
IPUUEIAXACYGOW-SFQUDFHCSA-NSynonyms
(4E)4(((11dioxidotetrahydrothiophen3yl)amino)methylidene)2(2methoxyphenyl)isoquinoline13(2H4H)dione
(4E)4(((11dioxothiolan3yl)amino)methylidene)2(2methoxyphenyl)isoquinoline13dione
(E)4(((11dioxidotetrahydrothiophen3yl)amino)methylene)2(2methoxyphenyl)isoquinoline13(2H4H)dione
COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=CNC4CCS(=O)(=O)C4)C2=O
COc1ccccc1N1C(=O)C(=CNC2CCS(=O)(=O)C2)c2c(C1=O)cccc2
InChI=1SC21H20N2O5Sc12819954818(19)2320(24)16732615(16)17(21(23)25)122214101129(2627)1314h29121422H101113H21H3b1712+
MFCD06594345
ZINC000008488293
ZINC000008488294
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