Vitas-M small molecule compound
(5E)-5-{3-chloro-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL368207
SMILES CCOc1cc(/C=C\2/SC(=S)N(C2=O)C)cc(c1OCc1ccc(cc1)[N+](=O)[O-])Cl
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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 C20H17ClN2O5S2 MW 464.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O5S2/c1-3-27-16-9-13(10-17-19(24)22(2)20(29)30-17)8-15(21)18(16)28-11-12-4-6-14(7-5-12)23(25)26/h4-10H,3,11H2,1-2H3/b17-10+InChIKey
NEVORSCTCADEAW-LICLKQGHSA-NSynonyms
(5E)5((3chloro5ethoxy4((4nitrophenyl)methoxy)phenyl)methylidene)3methyl2sulfanylidene13thiazolidin4one
(5E)5(3chloro5ethoxy4((4nitrobenzyl)oxy)benzylidene)3methyl2thioxo13thiazolidin4one
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C)Cl)OCC3=CC=C(C=C3)(N+)(=O)(O)
CCOc1cc(C=C2SC(=S)N(C2=O)C)cc(c1OCc1ccc(cc1)(N+)(=O)(O))Cl
InChI=1SC20H17ClN2O5S2c132716913(101719(24)22(2)20(29)3017)815(21)18(16)2811124614(7512)23(25)26h410H311H212H3b1710+
MFCD28952067
ZINC000033446516
ZINC33446516
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