Vitas-M small molecule compound
3-methyl-2-[(5Z)-4-oxo-5-(pyridinium-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]butanoate
Catalog ID
STK559906
SMILES CC(C(N1C(=S)S/C(=C\c2ccc[nH+]c2)/C1=O)C(=O)[O-])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 C14H14N2O3S2 MW 322.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N2O3S2/c1-8(2)11(13(18)19)16-12(17)10(21-14(16)20)6-9-4-3-5-15-7-9/h3-8,11H,1-2H3,(H,18,19)/b10-6-InChIKey
ZUVZZNBYZGLVRK-POHAHGRESA-NSynonyms
463308-93-23methyl2((5Z)4oxo5(pyridinium3ylmethylidene)2thioxo13thiazolidin3yl)butanoate
CC(C(N1C(=S)SC(=Cc2ccc(nH+)c2)C1=O)C(=O)(O))C
CC(C)C(C(=O)(O))N1C(=O)C(=CC2=C(NH+)=CC=C2)SC1=S
InChI=1SC14H14N2O3S2c18(2)11(13(18)19)1612(17)10(2114(16)20)694351579h3811H12H3(H1819)b106
MFCD03302689
ZINC000001254845
ZINC000008643369
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