Vitas-M small molecule compound
(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK880687
SMILES COc1cc(CCN2C(=S)S/C(=C\c3cn(nc3c3cccs3)c3ccccc3)/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 C27H23N3O3S3 MW 533.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O3S3/c1-32-21-11-10-18(15-22(21)33-2)12-13-29-26(31)24(36-27(29)34)16-19-17-30(20-7-4-3-5-8-20)28-25(19)23-9-6-14-35-23/h3-11,14-17H,12-13H2,1-2H3/b24-16-InChIKey
SNRGSMZTNOCFTB-JLPGSUDCSA-NSynonyms
(5Z)3(2(34dimethoxyphenyl)ethyl)5((1phenyl3(thiophen2yl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2(34dimethoxyphenyl)ethyl)5((1phenyl3thiophen2ylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3cn(nc3c3cccs3)c3ccccc3)C2=O)ccc1OC
InChI=1SC27H23N3O3S3c13221111018(1522(21)332)12132926(31)24(3627(29)34)16191730(207435820)2825(19)2396143523h3111417H1213H212H3b2416
MFCD04441289
ZINC000097946498
ZINC97946498
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