Vitas-M small molecule compound
(5E)-5-[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)benzylidene]-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK096097
SMILES C=CCc1cc(/C=C\2/SC(=O)N(C2=O)Cc2cccc(c2)[N+](=O)[O-])cc(c1O)OC
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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 C21H18N2O6S MW 426.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6S/c1-3-5-15-8-14(10-17(29-2)19(15)24)11-18-20(25)22(21(26)30-18)12-13-6-4-7-16(9-13)23(27)28/h3-4,6-11,24H,1,5,12H2,2H3/b18-11+InChIKey
FEVLDRHMUANQNK-WOJGMQOQSA-NSynonyms
(5E)5((4HYDROXY3METHOXY5PROP2ENYLPHENYL)METHYLIDENE)3((3NITROPHENYL)METHYL)13THIAZOLIDINE24DIONE
(5E)5(4HYDROXY3METHOXY5(PROP2EN1YL)BENZYLIDENE)3(3NITROBENZYL)13THIAZOLIDINE24DIONE
C=CCc1cc(C=C2SC(=O)N(C2=O)Cc2cccc(c2)(N+)(=O)(O))cc(c1O)OC
COC1=CC(=CC(=C1O)CC=C)C=C2C(=O)N(C(=O)S2)CC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC21H18N2O6Sc13515814(1017(292)19(15)24)111820(25)22(21(26)3018)121364716(913)23(27)28h3461124H1512H22H3b1811+
MFCD03141396
STK096097
ZINC000001167193
ZINC01167193
ZINC1167193
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