Vitas-M small molecule compound
(4E)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione
Catalog ID
STK575824
SMILES O=C1N(c2cccc(c2)C(F)(F)F)C(=O)c2c(/C/1=C\NC1CCS(=O)(=O)C1)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 C21H17F3N2O4S MW 450.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F3N2O4S/c22-21(23,24)13-4-3-5-15(10-13)26-19(27)17-7-2-1-6-16(17)18(20(26)28)11-25-14-8-9-31(29,30)12-14/h1-7,10-11,14,25H,8-9,12H2/b18-11+InChIKey
MJDSHRGHVMEKTK-WOJGMQOQSA-NSynonyms
(4E)4(((11dioxidotetrahydrothiophen3yl)amino)methylidene)2(3(trifluoromethyl)phenyl)isoquinoline13(2H4H)dione
(4E)4(((11dioxothiolan3yl)amino)methylidene)2(3(trifluoromethyl)phenyl)isoquinoline13dione
(E)4(((11dioxidotetrahydrothiophen3yl)amino)methylene)2(3(trifluoromethyl)phenyl)isoquinoline13(2H4H)dione
C1CS(=O)(=O)CC1NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC(=C4)C(F)(F)F
InChI=1SC21H17F3N2O4Sc2221(2324)1343515(1013)2619(27)17721616(17)18(20(26)28)1125148931(2930)1214h1710111425H8912H2b1811+
MFCD06601133
O=C1N(c2cccc(c2)C(F)(F)F)C(=O)c2c(C1=CNC1CCS(=O)(=O)C1)cccc2
ZINC000020518488
ZINC000020518490
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