Vitas-M small molecule compound
(5E)-5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Catalog ID
STL428115
SMILES S=C1S/C(=C/c2cc(Br)c(c(c2)[N+](=O)[O-])O)/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 C17H8BrF3N2O4S2 MW 505.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H8BrF3N2O4S2/c18-11-4-8(5-12(14(11)24)23(26)27)6-13-15(25)22(16(28)29-13)10-3-1-2-9(7-10)17(19,20)21/h1-7,24H/b13-6+InChIKey
SKJFDESJEWVAAZ-AWNIVKPZSA-NSynonyms
(5E)5((3BROMO4HYDROXY5NITROPHENYL)METHYLIDENE)2SULFANYLIDENE3(3(TRIFLUOROMETHYL)PHENYL)13THIAZOLIDIN4ONE
(5E)5(3bromo4hydroxy5nitrobenzylidene)2thioxo3(3(trifluoromethyl)phenyl)13thiazolidin4one
C1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)O)(N+)(=O)(O))SC2=S)C(F)(F)F
InChI=1SC17H8BrF3N2O4S2c181148(512(14(11)24)23(26)27)61315(25)22(16(28)2913)103129(710)17(1920)21h1724Hb136+
MFCD01963619
S=C1SC(=Cc2cc(Br)c(c(c2)(N+)(=O)(O))O)C(=O)N1c1cccc(c1)C(F)(F)F
ZINC000009296592
ZINC9296592
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