Vitas-M small molecule compound
(5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL418527
SMILES COc1cc(/C=C\2/SC(=S)N(C2=O)c2ccc(cc2)[N+](=O)[O-])cc(c1O)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 C17H11BrN2O5S2 MW 467.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11BrN2O5S2/c1-25-13-7-9(6-12(18)15(13)21)8-14-16(22)19(17(26)27-14)10-2-4-11(5-3-10)20(23)24/h2-8,21H,1H3/b14-8+InChIKey
IOQGSTMJNFWAQC-RIYZIHGNSA-NSynonyms
(5E)5((3bromo4hydroxy5methoxyphenyl)methylidene)3(4nitrophenyl)2sulfanylidene13thiazolidin4one
(5E)5(3bromo4hydroxy5methoxybenzylidene)3(4nitrophenyl)2thioxo13thiazolidin4one
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)(N+)(=O)(O))Br)O
COc1cc(C=C2SC(=S)N(C2=O)c2ccc(cc2)(N+)(=O)(O))cc(c1O)Br
InChI=1SC17H11BrN2O5S2c1251379(612(18)15(13)21)81416(22)19(17(26)2714)102411(5310)20(23)24h2821H1H3b148+
MFCD04083165
ZINC000009296577
ZINC09296577
ZINC9296577
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