Vitas-M small molecule compound
(5E)-5-{3-bromo-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-3-(2-methylphenyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL378964
SMILES CCOc1cc(/C=C\2/SC(=S)N(C2=O)c2ccccc2C)cc(c1OCc1ccc(cc1)[N+](=O)[O-])Br
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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 C26H21BrN2O5S2 MW 585.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrN2O5S2/c1-3-33-22-13-18(12-20(27)24(22)34-15-17-8-10-19(11-9-17)29(31)32)14-23-25(30)28(26(35)36-23)21-7-5-4-6-16(21)2/h4-14H,3,15H2,1-2H3/b23-14+InChIKey
MTWKDLSIFXHNGX-OEAKJJBVSA-NSynonyms
(5E)5((3BROMO5ETHOXY4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)3(2METHYLPHENYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)5(3bromo5ethoxy4((4nitrobenzyl)oxy)benzylidene)3(2methylphenyl)2thioxo13thiazolidin4one
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC=C3C)Br)OCC4=CC=C(C=C4)(N+)(=O)(O)
CCOc1cc(C=C2SC(=S)N(C2=O)c2ccccc2C)cc(c1OCc1ccc(cc1)(N+)(=O)(O))Br
InChI=1SC26H21BrN2O5S2c1333221318(1220(27)24(22)34151781019(11917)29(31)32)142325(30)28(26(35)3623)21754616(21)2h414H315H212H3b2314+
MFCD03614612
ZINC000100339282
ZINC100339282
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