Vitas-M small molecule compound
2-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STL006099
SMILES CCC(N1C(=S)S/C(=C\c2ccccn2)/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)7-8-5-3-4-6-14-8/h3-7,9H,2H2,1H3,(H,17,18)/b10-7-InChIKey
BWPIWQOPSCJTLZ-YFHOEESVSA-NSynonyms
(Z)2(4oxo5(pyridin2ylmethylene)2thioxothiazolidin3yl)butanoicacid
2((5Z)4OXO5(PYRIDIN2YLMETHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
2((5Z)4oxo5(pyridin2ylmethylidene)2thioxo13thiazolidin3yl)butanoicacid
CCC(C(=O)O)N1C(=O)C(=CC2=CC=CC=N2)SC1=S
CCC(N1C(=S)SC(=Cc2ccccn2)C1=O)C(=O)O
InChI=1SC13H12N2O3S2c129(12(17)18)1511(16)10(2013(15)19)785346148h379H2H21H3(H1718)b107
MFCD05679456
ZINC000002447598
ZINC000002447600
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