Vitas-M small molecule compound
2-[(5E)-5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid
Catalog ID
STL120702
SMILES COc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=C\1/SC(=S)N(C1=O)C(C(=O)O)CC(=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 C19H14N2O9S2 MW 478.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N2O9S2/c1-29-9-2-4-11(12(6-9)21(27)28)14-5-3-10(30-14)7-15-17(24)20(19(31)32-15)13(18(25)26)8-16(22)23/h2-7,13H,8H2,1H3,(H,22,23)(H,25,26)/b15-7+InChIKey
NYGJQEDISVOGKW-VIZOYTHASA-NSynonyms
2((5E)5((5(4methoxy2nitrophenyl)furan2yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)butanedioicacid
2((5E)5((5(4methoxy2nitrophenyl)furan2yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanedioicacid
COC1=CC(=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))c1ccc(o1)C=C1SC(=S)N(C1=O)C(C(=O)O)CC(=O)O
InChI=1SC19H14N2O9S2c12992411(12(69)21(27)28)145310(3014)71517(24)20(19(31)3215)13(18(25)26)816(22)23h2713H8H21H3(H2223)(H2526)b157+
MFCD07802249
ZINC000008818978
ZINC000008818979
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