Vitas-M small molecule compound
4-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]phenyl thiophene-2-carboxylate
Catalog ID
STK821714
SMILES COc1cc(CCN2C(=S)S/C(=C\c3ccc(cc3)OC(=O)c3cccs3)/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 C25H21NO5S3 MW 511.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO5S3/c1-29-19-10-7-17(14-20(19)30-2)11-12-26-23(27)22(34-25(26)32)15-16-5-8-18(9-6-16)31-24(28)21-4-3-13-33-21/h3-10,13-15H,11-12H2,1-2H3/b22-15-InChIKey
TVHCFGHVAATXPS-JCMHNJIXSA-NSynonyms
(4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)thiophene2carboxylate
4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenylthiophene2carboxylate
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC=CS4)SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3ccc(cc3)OC(=O)c3cccs3)C2=O)ccc1OC
InChI=1SC25H21NO5S3c1291910717(1420(19)302)11122623(27)22(3425(26)32)15165818(9616)3124(28)2143133321h3101315H1112H212H3b2215
MFCD03462964
ZINC000026965712
ZINC26965712
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