Vitas-M small molecule compound
2-[(5E)-5-{[5-(4-methoxyphenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Catalog ID
STL036080
SMILES CCCCC(N1C(=S)S/C(=C/c2ccc(o2)c2ccc(cc2)OC)/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 C21H21NO5S2 MW 431.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO5S2/c1-3-4-5-16(20(24)25)22-19(23)18(29-21(22)28)12-15-10-11-17(27-15)13-6-8-14(26-2)9-7-13/h6-12,16H,3-5H2,1-2H3,(H,24,25)/b18-12+InChIKey
BKQPGTLVQABRKZ-LDADJPATSA-NSynonyms
2((5E)5((5(4methoxyphenyl)furan2yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)hexanoicacid
2((5E)5((5(4methoxyphenyl)furan2yl)methylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
CCCCC(C(=O)O)N1C(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)OC)SC1=S
CCCCC(N1C(=S)SC(=Cc2ccc(o2)c2ccc(cc2)OC)C1=O)C(=O)O
InChI=1SC21H21NO5S2c134516(20(24)25)2219(23)18(2921(22)28)1215101117(2715)136814(262)9713h61216H35H212H3(H2425)b1812+
MFCD07998002
ZINC000013075860
ZINC000013075862
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