Vitas-M small molecule compound
3-[(5E)-5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid
Catalog ID
STK117887
SMILES CCCCOc1ccc(cc1OC)/C=C\1/SC(=S)N(C1=O)c1cccc(c1)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 C22H21NO5S2 MW 443.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5S2/c1-3-4-10-28-17-9-8-14(11-18(17)27-2)12-19-20(24)23(22(29)30-19)16-7-5-6-15(13-16)21(25)26/h5-9,11-13H,3-4,10H2,1-2H3,(H,25,26)/b19-12+InChIKey
QWPPRUVJKXHWCL-XDHOZWIPSA-NSynonyms
3((5E)5((4BUTOXY3METHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BENZOICACID
3((5E)5(4BUTOXY3METHOXYBENZYLIDENE)4OXO2THIOXO13THIAZOLIDIN3YL)BENZOICACID
CCCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O)OC
CCCCOc1ccc(cc1OC)C=C1SC(=S)N(C1=O)c1cccc(c1)C(=O)O
InChI=1SC22H21NO5S2c1341028179814(1118(17)272)121920(24)23(22(29)3019)1675615(1316)21(25)26h591113H3410H212H3(H2526)b1912+
MFCD04084705
ZINC000001777292
ZINC1777292
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