Vitas-M small molecule compound
2-methoxy-4-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 3,6-dichloro-1-benzothiophene-2-carboxylate
Catalog ID
STK821188
SMILES COCCN1C(=S)S/C(=C\c2ccc(c(c2)OC)OC(=O)c2sc3c(c2Cl)ccc(c3)Cl)/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 C23H17Cl2NO5S3 MW 554.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17Cl2NO5S3/c1-29-8-7-26-21(27)18(34-23(26)32)10-12-3-6-15(16(9-12)30-2)31-22(28)20-19(25)14-5-4-13(24)11-17(14)33-20/h3-6,9-11H,7-8H2,1-2H3/b18-10-InChIKey
ONYUNDJZSOSIAM-ZDLGFXPLSA-NSynonyms
(2methoxy4((Z)(3(2methoxyethyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)36dichloro1benzothiophene2carboxylate
2methoxy4((Z)(3(2methoxyethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl36dichloro1benzothiophene2carboxylate
COCCN1C(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)OC)SC1=S
COCCN1C(=S)SC(=Cc2ccc(c(c2)OC)OC(=O)c2sc3c(c2Cl)ccc(c3)Cl)C1=O
InChI=1SC23H17Cl2NO5S3c129872621(27)18(3423(26)32)10123615(16(912)302)3122(28)2019(25)145413(24)1117(14)3320h36911H78H212H3b1810
MFCD01458139
ZINC000097946921
ZINC97946921
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