Vitas-M small molecule compound

(5Z)-5-(3-nitrobenzylidene)-3-pentyl-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK808673
SMILES CCCCCN1C(=S)S/C(=C\c2cccc(c2)[N+](=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 C15H16N2O3S2 MW 336.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N2O3S2/c1-2-3-4-8-16-14(18)13(22-15(16)21)10-11-6-5-7-12(9-11)17(19)20/h5-7,9-10H,2-4,8H2,1H3/b13-10-
InChIKey
IXADVYUUICIPJR-RAXLEYEMSA-N
Synonyms

(5Z)5((3NITROPHENYL)METHYLIDENE)3PENTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(3nitrobenzylidene)3pentyl2thioxo13thiazolidin4one
CCCCCN1C(=O)C(=CC2=CC(=CC=C2)(N+)(=O)(O))SC1=S
CCCCCN1C(=S)SC(=Cc2cccc(c2)(N+)(=O)(O))C1=O
InChI=1SC15H16N2O3S2c123481614(18)13(2215(16)21)101165712(911)17(19)20h57910H248H21H3b1310
MFCD03461060
ZINC000002666847
ZINC02666847
ZINC2666847

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Available files

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