Vitas-M small molecule compound
3-[(5E)-5-{4-[(4-chlorobenzyl)oxy]-3-ethoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STL015462
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Cl)/C=C\1/SC(=S)N(C1=O)CCC(=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 C22H20ClNO5S2 MW 477.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClNO5S2/c1-2-28-18-11-15(5-8-17(18)29-13-14-3-6-16(23)7-4-14)12-19-21(27)24(22(30)31-19)10-9-20(25)26/h3-8,11-12H,2,9-10,13H2,1H3,(H,25,26)/b19-12+InChIKey
HVHAFOFNWIMEKV-XDHOZWIPSA-NSynonyms
3((5E)5((4((4CHLOROPHENYL)METHOXY)3ETHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
3((5E)5(4((4chlorobenzyl)oxy)3ethoxybenzylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)O)OCC3=CC=C(C=C3)Cl
CCOc1cc(ccc1OCc1ccc(cc1)Cl)C=C1SC(=S)N(C1=O)CCC(=O)O
InChI=1SC22H20ClNO5S2c1228181115(5817(18)2913143616(23)7414)121921(27)24(22(30)3119)10920(25)26h381112H291013H21H3(H2526)b1912+
MFCD05151355
ZINC000032694336
ZINC32694336
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