Vitas-M small molecule compound
(4E)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}-2-(2-fluorophenyl)isoquinoline-1,3(2H,4H)-dione
Catalog ID
STK586970
SMILES O=C1/C(=C/NC2CCS(=O)(=O)C2)/c2ccccc2C(=O)N1c1ccccc1F
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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 C20H17FN2O4S MW 400.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17FN2O4S/c21-17-7-3-4-8-18(17)23-19(24)15-6-2-1-5-14(15)16(20(23)25)11-22-13-9-10-28(26,27)12-13/h1-8,11,13,22H,9-10,12H2/b16-11+InChIKey
PFUIUWBZIUWIML-LFIBNONCSA-NSynonyms
(4E)4(((11dioxidotetrahydrothiophen3yl)amino)methylidene)2(2fluorophenyl)isoquinoline13(2H4H)dione
(4E)4(((11dioxothiolan3yl)amino)methylidene)2(2fluorophenyl)isoquinoline13dione
(E)4(((11dioxidotetrahydrothiophen3yl)amino)methylene)2(2fluorophenyl)isoquinoline13(2H4H)dione
C1CS(=O)(=O)CC1NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4F
InChI=1SC20H17FN2O4Sc2117734818(17)2319(24)15621514(15)16(20(23)25)11221391028(2627)1213h18111322H91012H2b1611+
MFCD06597277
O=C1C(=CNC2CCS(=O)(=O)C2)c2ccccc2C(=O)N1c1ccccc1F
ZINC000008519945
ZINC000008519947
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