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-chloro-1-benzothiophene-2-carboxylate
Catalog ID
STK821686
SMILES COc1cc(CCN2C(=S)S/C(=C\c3ccc(cc3)OC(=O)c3sc4c(c3Cl)cccc4)/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 C29H22ClNO5S3 MW 596.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClNO5S3/c1-34-21-12-9-18(15-22(21)35-2)13-14-31-27(32)24(39-29(31)37)16-17-7-10-19(11-8-17)36-28(33)26-25(30)20-5-3-4-6-23(20)38-26/h3-12,15-16H,13-14H2,1-2H3/b24-16-InChIKey
PVSNQPYBCWIWJI-JLPGSUDCSA-NSynonyms
(4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)3chloro1benzothiophene2carboxylate
4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl3chloro1benzothiophene2carboxylate
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=C(C5=CC=CC=C5S4)Cl)SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3ccc(cc3)OC(=O)c3sc4c(c3Cl)cccc4)C2=O)ccc1OC
InChI=1SC29H22ClNO5S3c1342112918(1522(21)352)13143127(32)24(3929(31)37)161771019(11817)3628(33)2625(30)20534623(20)3826h3121516H1314H212H3b2416
MFCD03462948
ZINC000097946948
ZINC97946948
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