Vitas-M small molecule compound
2-methoxy-4-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 3,4-dichloro-1-benzothiophene-2-carboxylate
Catalog ID
STK821781
SMILES COCCN1C(=S)S/C(=C\c2ccc(c(c2)OC)OC(=O)c2sc3c(c2Cl)c(Cl)ccc3)/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/c1-29-9-8-26-21(27)17(34-23(26)32)11-12-6-7-14(15(10-12)30-2)31-22(28)20-19(25)18-13(24)4-3-5-16(18)33-20/h3-7,10-11H,8-9H2,1-2H3/b17-11-InChIKey
FTILAUMNZXBCKH-BOPFTXTBSA-NSynonyms
(2methoxy4((Z)(3(2methoxyethyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)34dichloro1benzothiophene2carboxylate
2methoxy4((Z)(3(2methoxyethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl34dichloro1benzothiophene2carboxylate
COCCN1C(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=C(C4=C(S3)C=CC=C4Cl)Cl)OC)SC1=S
COCCN1C(=S)SC(=Cc2ccc(c(c2)OC)OC(=O)c2sc3c(c2Cl)c(Cl)ccc3)C1=O
InChI=1SC23H17Cl2NO5S3c129982621(27)17(3423(26)32)11126714(15(1012)302)3122(28)2019(25)1813(24)43516(18)3320h371011H89H212H3b1711
MFCD01458140
ZINC000097946977
ZINC97946977
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