Vitas-M small molecule compound
(5Z)-3-(2-ethylhexyl)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK701862
SMILES CCCCC(CN1C(=S)S/C(=C\c2ccc(o2)c2ccc(cc2)[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 C22H24N2O4S2 MW 444.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O4S2/c1-3-5-6-15(4-2)14-23-21(25)20(30-22(23)29)13-18-11-12-19(28-18)16-7-9-17(10-8-16)24(26)27/h7-13,15H,3-6,14H2,1-2H3/b20-13-InChIKey
SKHCQVCSQOPQOX-MOSHPQCFSA-NSynonyms
(5Z)3(2ETHYLHEXYL)5((5(4NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3(2ethylhexyl)5((5(4nitrophenyl)furan2yl)methylidene)2thioxo13thiazolidin4one
CCCCC(CC)CN1C(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)(N+)(=O)(O))SC1=S
CCCCC(CN1C(=S)SC(=Cc2ccc(o2)c2ccc(cc2)(N+)(=O)(O))C1=O)CC
InChI=1SC22H24N2O4S2c135615(42)142321(25)20(3022(23)29)1318111219(2818)167917(10816)24(26)27h71315H3614H212H3b2013
MFCD03461651
ZINC000002696746
ZINC000002696750
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