Vitas-M small molecule compound
(5Z)-5-[4-(morpholin-4-yl)-3-nitrobenzylidene]-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Catalog ID
STL428749
SMILES S=C1S/C(=C\c2ccc(c(c2)[N+](=O)[O-])N2CCOCC2)/C(=O)N1c1cccc(c1)C(F)(F)F
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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 C21H16F3N3O4S2 MW 495.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F3N3O4S2/c22-21(23,24)14-2-1-3-15(12-14)26-19(28)18(33-20(26)32)11-13-4-5-16(17(10-13)27(29)30)25-6-8-31-9-7-25/h1-5,10-12H,6-9H2/b18-11-InChIKey
AYGNCWMKZVKVOT-WQRHYEAKSA-NSynonyms
(5Z)5((4morpholin4yl3nitrophenyl)methylidene)2sulfanylidene3(3(trifluoromethyl)phenyl)13thiazolidin4one
(5Z)5(4(morpholin4yl)3nitrobenzylidene)2thioxo3(3(trifluoromethyl)phenyl)13thiazolidin4one
C1COCCN1C2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(F)(F)F)(N+)(=O)(O)
InChI=1SC21H16F3N3O4S2c2221(2324)1421315(1214)2619(28)18(3320(26)32)11134516(17(1013)27(29)30)2568319725h151012H69H2b1811
MFCD05134262
S=C1SC(=Cc2ccc(c(c2)(N+)(=O)(O))N2CCOCC2)C(=O)N1c1cccc(c1)C(F)(F)F
ZINC000059186154
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