Vitas-M small molecule compound

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

Catalog ID
STK701864
SMILES CCCCC(CN1C(=S)S/C(=C\c2cccc(c2)[N+](=O)[O-])/C1=O)CC

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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 C18H22N2O3S2 MW 378.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O3S2/c1-3-5-7-13(4-2)12-19-17(21)16(25-18(19)24)11-14-8-6-9-15(10-14)20(22)23/h6,8-11,13H,3-5,7,12H2,1-2H3/b16-11-
InChIKey
BPHPKWBWVYSXFD-WJDWOHSUSA-N
Synonyms

(5Z)3(2ETHYLHEXYL)5((3NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3(2ethylhexyl)5(3nitrobenzylidene)2thioxo13thiazolidin4one
CCCCC(CC)CN1C(=O)C(=CC2=CC(=CC=C2)(N+)(=O)(O))SC1=S
CCCCC(CN1C(=S)SC(=Cc2cccc(c2)(N+)(=O)(O))C1=O)CC
InChI=1SC18H22N2O3S2c135713(42)121917(21)16(2518(19)24)111486915(1014)20(22)23h681113H35712H212H3b1611
MFCD03140092
ZINC000002696763
ZINC000002696767

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Available files

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