Vitas-M small molecule compound
(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(4-iodophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK821690
SMILES COc1cc(CCN2C(=S)S/C(=C\c3cn(nc3c3ccc(cc3)I)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 C29H24IN3O3S2 MW 653.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24IN3O3S2/c1-35-24-13-8-19(16-25(24)36-2)14-15-32-28(34)26(38-29(32)37)17-21-18-33(23-6-4-3-5-7-23)31-27(21)20-9-11-22(30)12-10-20/h3-13,16-18H,14-15H2,1-2H3/b26-17-InChIKey
FLEUMCWKWMKUCP-ONUIUJJFSA-NSynonyms
(5Z)3(2(34dimethoxyphenyl)ethyl)5((3(4iodophenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2(34dimethoxyphenyl)ethyl)5((3(4iodophenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)I)C5=CC=CC=C5)SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3cn(nc3c3ccc(cc3)I)c3ccccc3)C2=O)ccc1OC
InChI=1SC29H24IN3O3S2c1352413819(1625(24)362)14153228(34)26(3829(32)37)17211833(236435723)3127(21)2091122(30)121020h3131618H1415H212H3b2617
MFCD03462952
ZINC000097946952
ZINC97946952
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