Vitas-M small molecule compound

(5E)-5-{2-[(4-nitrobenzyl)oxy]benzylidene}-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STL418684
SMILES S=C1S/C(=C/c2ccccc2OCc2ccc(cc2)[N+](=O)[O-])/C(=O)N1c1ccc(cc1)[N+](=O)[O-]

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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 C23H15N3O6S2 MW 493.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15N3O6S2/c27-22-21(34-23(33)24(22)17-9-11-19(12-10-17)26(30)31)13-16-3-1-2-4-20(16)32-14-15-5-7-18(8-6-15)25(28)29/h1-13H,14H2/b21-13+
InChIKey
LJRHXSMIEVGAJO-FYJGNVAPSA-N
Synonyms

(5E)3(4nitrophenyl)5((2((4nitrophenyl)methoxy)phenyl)methylidene)2sulfanylidene13thiazolidin4one
(5E)5(2((4nitrobenzyl)oxy)benzylidene)3(4nitrophenyl)2thioxo13thiazolidin4one
C1=CC=C(C(=C1)C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)(N+)(=O)(O))OCC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC23H15N3O6S2c272221(3423(33)24(22)1791119(121017)26(30)31)1316312420(16)3214155718(8615)25(28)29h113H14H2b2113+
MFCD02627715
S=C1SC(=Cc2ccccc2OCc2ccc(cc2)(N+)(=O)(O))C(=O)N1c1ccc(cc1)(N+)(=O)(O)
ZINC000009310281
ZINC09310281
ZINC9310281

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Available files

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