Vitas-M small molecule compound
4-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate
Catalog ID
STK821707
SMILES S=C1S/C(=C\c2ccc(cc2)OC(=O)c2sc3c(c2Cl)cccc3)/C(=O)N1CCc1ccccc1
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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 C27H18ClNO3S3 MW 536.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClNO3S3/c28-23-20-8-4-5-9-21(20)34-24(23)26(31)32-19-12-10-18(11-13-19)16-22-25(30)29(27(33)35-22)15-14-17-6-2-1-3-7-17/h1-13,16H,14-15H2/b22-16-InChIKey
JXQUXQMEFFVHIR-JWGURIENSA-NSynonyms
(4((Z)(4oxo3(2phenylethyl)2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)3chloro1benzothiophene2carboxylate
4((Z)(4oxo3(2phenylethyl)2thioxo13thiazolidin5ylidene)methyl)phenyl3chloro1benzothiophene2carboxylate
C1=CC=C(C=C1)CCN2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=C(C5=CC=CC=C5S4)Cl)SC2=S
InChI=1SC27H18ClNO3S3c282320845921(20)3424(23)26(31)3219121018(111319)162225(30)29(27(33)3522)1514176213717h11316H1415H2b2216
MFCD03462960
S=C1SC(=Cc2ccc(cc2)OC(=O)c2sc3c(c2Cl)cccc3)C(=O)N1CCc1ccccc1
ZINC000097946955
ZINC97946955
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