Vitas-M small molecule compound
6-{(5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid
Catalog ID
STK583045
SMILES OC(=O)CCCCCN1C(=S)S/C(=C/c2ccc3c(c2)CC(O3)C)/C1=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 C19H21NO4S2 MW 391.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO4S2/c1-12-9-14-10-13(6-7-15(14)24-12)11-16-18(23)20(19(25)26-16)8-4-2-3-5-17(21)22/h6-7,10-12H,2-5,8-9H2,1H3,(H,21,22)/b16-11+InChIKey
FLHPZLAWEWJMOP-LFIBNONCSA-NSynonyms
873080-58-1(E)6(5((2methyl23dihydrobenzofuran5yl)methylene)4oxo2thioxothiazolidin3yl)hexanoicacid
6((5E)5((2methyl23dihydro1benzofuran5yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)hexanoicacid
6((5E)5((2methyl23dihydro1benzofuran5yl)methylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
873080581
CC1CC2=C(O1)C=CC(=C2)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O
InChI=1SC19H21NO4S2c1129141013(6715(14)2412)111618(23)20(19(25)2616)8423517(21)22h671012H2589H21H3(H2122)b1611+
MFCD06609106
OC(=O)CCCCCN1C(=S)SC(=Cc2ccc3c(c2)CC(O3)C)C1=O
ZINC000002342310
ZINC000002342312
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