Vitas-M small molecule compound
4-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]phenyl 3,6-dichloro-1-benzothiophene-2-carboxylate
Catalog ID
STK821687
SMILES COc1cc(CCN2C(=S)S/C(=C\c3ccc(cc3)OC(=O)c3sc4c(c3Cl)ccc(c4)Cl)/C2=O)ccc1OC
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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 C29H21Cl2NO5S3 MW 630.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21Cl2NO5S3/c1-35-21-10-5-17(13-22(21)36-2)11-12-32-27(33)24(40-29(32)38)14-16-3-7-19(8-4-16)37-28(34)26-25(31)20-9-6-18(30)15-23(20)39-26/h3-10,13-15H,11-12H2,1-2H3/b24-14-InChIKey
WACHOIFFBFIUKM-OYKKKHCWSA-NSynonyms
(4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)36dichloro1benzothiophene2carboxylate
4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl36dichloro1benzothiophene2carboxylate
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl)SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3ccc(cc3)OC(=O)c3sc4c(c3Cl)ccc(c4)Cl)C2=O)ccc1OC
InChI=1SC29H21Cl2NO5S3c1352110517(1322(21)362)11123227(33)24(4029(32)38)14163719(8416)3728(34)2625(31)209618(30)1523(20)3926h3101315H1112H212H3b2414
MFCD03462949
ZINC000097946949
ZINC97946949
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