Vitas-M small molecule compound
2-[(5Z)-4-oxo-5-(pyridinium-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]butanoate
Catalog ID
STK566570
SMILES CCC(N1C(=S)S/C(=C\c2ccc[nH+]c2)/C1=O)C(=O)[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 C13H12N2O3S2 MW 308.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N2O3S2/c1-2-9(12(17)18)15-11(16)10(20-13(15)19)6-8-4-3-5-14-7-8/h3-7,9H,2H2,1H3,(H,17,18)/b10-6-InChIKey
DLJAWAOAHJQVKI-POHAHGRESA-NSynonyms
2((5Z)4oxo5(pyridinium3ylmethylidene)2thioxo13thiazolidin3yl)butanoate
CCC(C(=O)O)N1C(=O)C(=CC2=CN=CC=C2)SC1=S
CCC(N1C(=S)SC(=Cc2ccc(nH+)c2)C1=O)C(=O)(O)
InChI=1SC13H12N2O3S2c129(12(17)18)1511(16)10(2013(15)19)684351478h379H2H21H3(H1718)b106
MFCD03667217
ZINC000001805085
ZINC000001805088
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