Vitas-M small molecule compound
(5Z)-5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-3-(2,4-dimethylphenyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL418546
SMILES Cc1ccc(c(c1)C)N1C(=S)S/C(=C\c2cc(Br)c(c(c2)[N+](=O)[O-])O)/C1=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 C18H13BrN2O4S2 MW 465.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13BrN2O4S2/c1-9-3-4-13(10(2)5-9)20-17(23)15(27-18(20)26)8-11-6-12(19)16(22)14(7-11)21(24)25/h3-8,22H,1-2H3/b15-8-InChIKey
PLASDSQJWBHIEZ-NVNXTCNLSA-NSynonyms
(5Z)5((3BROMO4HYDROXY5NITROPHENYL)METHYLIDENE)3(24DIMETHYLPHENYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(3bromo4hydroxy5nitrobenzylidene)3(24dimethylphenyl)2thioxo13thiazolidin4one
CC1=CC(=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)O)(N+)(=O)(O))SC2=S)C
Cc1ccc(c(c1)C)N1C(=S)SC(=Cc2cc(Br)c(c(c2)(N+)(=O)(O))O)C1=O
InChI=1SC18H13BrN2O4S2c193413(10(2)59)2017(23)15(2718(20)26)811612(19)16(22)14(711)21(24)25h3822H12H3b158
MFCD30707261
RHODANINE14
ZINC000002997480
ZINC2997480
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