Vitas-M small molecule compound
(5Z)-5-(2-chloro-5-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK075359
SMILES [O-][N+](=O)c1cc(/C=C/2\SC(=O)N(C2=O)CC#C)c(cc1)Cl
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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 C13H7ClN2O4S MW 322.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H7ClN2O4S/c1-2-5-15-12(17)11(21-13(15)18)7-8-6-9(16(19)20)3-4-10(8)14/h1,3-4,6-7H,5H2/b11-7-InChIKey
CBRPCIPFEVJDFX-XFFZJAGNSA-NSynonyms
(5Z)5((2CHLORO5NITROPHENYL)METHYLIDENE)3PROP2YNYL13THIAZOLIDINE24DIONE
(5Z)5(2CHLORO5NITROBENZYLIDENE)3(PROP2YN1YL)13THIAZOLIDINE24DIONE
(O)(N+)(=O)c1cc(C=C2SC(=O)N(C2=O)CC#C)c(cc1)Cl
C#CCN1C(=O)C(=CC2=C(C=CC(=C2)(N+)(=O)(O))Cl)SC1=O
InChI=1SC13H7ClN2O4Sc1251512(17)11(2113(15)18)7869(16(19)20)3410(8)14h13467H5H2b117
MFCD03228629
STK075359
ZINC000001161392
ZINC01161392
ZINC1161392
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