Vitas-M small molecule compound
2-[(5E)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid
Catalog ID
STL035746
SMILES CCc1ccc(cc1)/C=C\1/SC(=S)N(C1=O)C(C(=O)O)CC(=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 C16H15NO5S2 MW 365.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15NO5S2/c1-2-9-3-5-10(6-4-9)7-12-14(20)17(16(23)24-12)11(15(21)22)8-13(18)19/h3-7,11H,2,8H2,1H3,(H,18,19)(H,21,22)/b12-7+InChIKey
BGFCVKUXYZMECY-KPKJPENVSA-NSynonyms
2((5E)5((4ETHYLPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANEDIOICACID
2((5E)5(4ethylbenzylidene)4oxo2thioxo13thiazolidin3yl)butanedioicacid
CCC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C(CC(=O)O)C(=O)O
CCc1ccc(cc1)C=C1SC(=S)N(C1=O)C(C(=O)O)CC(=O)O
InChI=1SC16H15NO5S2c1293510(649)71214(20)17(16(23)2412)11(15(21)22)813(18)19h3711H28H21H3(H1819)(H2122)b127+
MFCD18192137
ZINC000032707972
ZINC000032707975
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