Vitas-M small molecule compound

methyl 4-{[(2E,5Z)-5-(4-hydroxy-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate

Catalog ID
STL368997
SMILES COC(=O)c1ccc(cc1)/N=C\1/S/C(=C\c2ccc(c(c2)[N+](=O)[O-])O)/C(=O)N1C

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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 C19H15N3O6S MW 413.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O6S/c1-21-17(24)16(10-11-3-8-15(23)14(9-11)22(26)27)29-19(21)20-13-6-4-12(5-7-13)18(25)28-2/h3-10,23H,1-2H3/b16-10-,20-19+
InChIKey
OONBEZYBBAUSIX-ZDWRFWLISA-N
Synonyms

COC(=O)c1ccc(cc1)N=C1SC(=Cc2ccc(c(c2)(N+)(=O)(O))O)C(=O)N1C
methyl4(((2E5Z)5(4hydroxy3nitrobenzylidene)3methyl4oxo13thiazolidin2ylidene)amino)benzoate
MFCD03082432
ZINC000005558011

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.