Vitas-M small molecule compound
(5Z)-3-(1,3-benzodioxol-5-yl)-5-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL372085
SMILES COc1cc(/C=C/2\SC(=S)N(C2=O)c2ccc3c(c2)OCO3)cc(c1OCc1cccc2c1cccc2)Br
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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 C29H20BrNO5S2 MW 606.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20BrNO5S2/c1-33-25-12-17(11-22(30)27(25)34-15-19-7-4-6-18-5-2-3-8-21(18)19)13-26-28(32)31(29(37)38-26)20-9-10-23-24(14-20)36-16-35-23/h2-14H,15-16H2,1H3/b26-13-InChIKey
YQFRWTZVCFSNAW-ZMFRSBBQSA-NSynonyms
(5Z)3(13BENZODIOXOL5YL)5((3BROMO5METHOXY4(NAPHTHALEN1YLMETHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3(13benzodioxol5yl)5(3bromo5methoxy4(naphthalen1ylmethoxy)benzylidene)2thioxo13thiazolidin4one
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC4=C(C=C3)OCO4)Br)OCC5=CC=CC6=CC=CC=C65
COc1cc(C=C2SC(=S)N(C2=O)c2ccc3c(c2)OCO3)cc(c1OCc1cccc2c1cccc2)Br
InChI=1SC29H20BrNO5S2c133251217(1122(30)27(25)34151974618523821(18)19)132628(32)31(29(37)3826)209102324(1420)36163523h214H1516H21H3b2613
MFCD07084975
ZINC000105447419
ZINC105447419
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