Vitas-M small molecule compound
(5E)-5-[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)benzylidene]-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK021535
SMILES CCOc1cc(/C=C\2/SC(=O)N(C2=O)Cc2cccc(c2)[N+](=O)[O-])cc(c1O)CC=C
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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 C22H20N2O6S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O6S/c1-3-6-16-9-15(11-18(20(16)25)30-4-2)12-19-21(26)23(22(27)31-19)13-14-7-5-8-17(10-14)24(28)29/h3,5,7-12,25H,1,4,6,13H2,2H3/b19-12+InChIKey
KLUKDOFKYLEUPE-XDHOZWIPSA-NSynonyms
(5E)5((3ethoxy4hydroxy5prop2enylphenyl)methylidene)3((3nitrophenyl)methyl)13thiazolidine24dione
(5E)5(3ETHOXY4HYDROXY5(PROP2EN1YL)BENZYLIDENE)3(3NITROBENZYL)13THIAZOLIDINE24DIONE
CCOC1=CC(=CC(=C1O)CC=C)C=C2C(=O)N(C(=O)S2)CC3=CC(=CC=C3)(N+)(=O)(O)
CCOc1cc(C=C2SC(=O)N(C2=O)Cc2cccc(c2)(N+)(=O)(O))cc(c1O)CC=C
InChI=1SC22H20N2O6Sc13616915(1118(20(16)25)3042)121921(26)23(22(27)3119)131475817(1014)24(28)29h3571225H14613H22H3b1912+
MFCD04580742
STK021535
ZINC000009057201
ZINC09057201
ZINC9057201
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