Vitas-M small molecule compound
4-methyl-2-[(5E)-4-oxo-5-(pyridin-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]pentanoic acid
Catalog ID
STL035754
SMILES CC(CC(N1C(=S)S/C(=C/c2cccnc2)/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 C15H16N2O3S2 MW 336.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N2O3S2/c1-9(2)6-11(14(19)20)17-13(18)12(22-15(17)21)7-10-4-3-5-16-8-10/h3-5,7-9,11H,6H2,1-2H3,(H,19,20)/b12-7+InChIKey
RPNMZAXGOJRFQL-KPKJPENVSA-NSynonyms
4methyl2((5E)4oxo5(pyridin3ylmethylidene)2sulfanylidene13thiazolidin3yl)pentanoicacid
4methyl2((5E)4oxo5(pyridin3ylmethylidene)2thioxo13thiazolidin3yl)pentanoicacid
CC(C)CC(C(=O)O)N1C(=O)C(=CC2=CN=CC=C2)SC1=S
CC(CC(N1C(=S)SC(=Cc2cccnc2)C1=O)C(=O)O)C
InChI=1SC15H16N2O3S2c19(2)611(14(19)20)1713(18)12(2215(17)21)71043516810h357911H6H212H3(H1920)b127+
MFCD18192144
ZINC000027530415
ZINC000027530416
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