Vitas-M small molecule compound
2-methoxy-4-[(E)-{4-oxo-3-[(phenylcarbonyl)amino]-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]phenyl 4-fluorobenzenesulfonate
Catalog ID
STL419129
SMILES COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)F)/C=C\1/SC(=S)N(C1=O)NC(=O)c1ccccc1
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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 C24H17FN2O6S3 MW 544.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17FN2O6S3/c1-32-20-13-15(7-12-19(20)33-36(30,31)18-10-8-17(25)9-11-18)14-21-23(29)27(24(34)35-21)26-22(28)16-5-3-2-4-6-16/h2-14H,1H3,(H,26,28)/b21-14+InChIKey
LFYQQBYAOVHLAK-KGENOOAVSA-NSynonyms
(4((E)(3benzamido4oxo2sulfanylidene13thiazolidin5ylidene)methyl)2methoxyphenyl)4fluorobenzenesulfonate
2methoxy4((E)(4oxo3((phenylcarbonyl)amino)2thioxo13thiazolidin5ylidene)methyl)phenyl4fluorobenzenesulfonate
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F
COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)F)C=C1SC(=S)N(C1=O)NC(=O)c1ccccc1
InChI=1SC24H17FN2O6S3c132201315(71219(20)3336(3031)1810817(25)91118)142123(29)27(24(34)3521)2622(28)165324616h214H1H3(H2628)b2114+
MFCD05041203
ZINC000101095190
ZINC101095190
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