Vitas-M small molecule compound
2-{(5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}ethanesulfonic acid
Catalog ID
STK574314
SMILES CC1Oc2c(C1)cc(cc2)/C=C\1/SC(=S)N(C1=O)CCS(=O)(=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 C15H15NO5S3 MW 385.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15NO5S3/c1-9-6-11-7-10(2-3-12(11)21-9)8-13-14(17)16(15(22)23-13)4-5-24(18,19)20/h2-3,7-9H,4-6H2,1H3,(H,18,19,20)/b13-8+InChIKey
NZABWYPZUVESCR-MDWZMJQESA-NSynonyms
872869-30-2(E)2(5((2methyl23dihydrobenzofuran5yl)methylene)4oxo2thioxothiazolidin3yl)ethanesulfonicacid
2((5E)5((2methyl23dihydro1benzofuran5yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)ethanesulfonicacid
2((5E)5((2methyl23dihydro1benzofuran5yl)methylidene)4oxo2thioxo13thiazolidin3yl)ethanesulfonicacid
872869302
CC1CC2=C(O1)C=CC(=C2)C=C3C(=O)N(C(=S)S3)CCS(=O)(=O)O
CC1Oc2c(C1)cc(cc2)C=C1SC(=S)N(C1=O)CCS(=O)(=O)O
InChI=1SC15H15NO5S3c19611710(2312(11)219)81314(17)16(15(22)2313)4524(1819)20h2379H46H21H3(H181920)b138+
MFCD06602393
ZINC000002232550
ZINC000002232553
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