Vitas-M small molecule compound
(5Z)-5-(2-hydroxy-5-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK005194
SMILES [O-][N+](=O)c1cc(/C=C/2\SC(=O)N(C2=O)CC#C)c(cc1)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 C13H8N2O5S MW 304.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8N2O5S/c1-2-5-14-12(17)11(21-13(14)18)7-8-6-9(15(19)20)3-4-10(8)16/h1,3-4,6-7,16H,5H2/b11-7-InChIKey
IAXXIOYQLHVTMU-XFFZJAGNSA-NSynonyms
(5Z)5((2HYDROXY5NITROPHENYL)METHYLIDENE)3PROP2YNYL13THIAZOLIDINE24DIONE
(5Z)5(2HYDROXY5NITROBENZYLIDENE)3(PROP2YN1YL)13THIAZOLIDINE24DIONE
(O)(N+)(=O)c1cc(C=C2SC(=O)N(C2=O)CC#C)c(cc1)O
C#CCN1C(=O)C(=CC2=C(C=CC(=C2)(N+)(=O)(O))O)SC1=O
InChI=1SC13H8N2O5Sc1251412(17)11(2113(14)18)7869(15(19)20)3410(8)16h1346716H5H2b117
MFCD08049166
STK005194
ZINC000004550178
ZINC4550178
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