Vitas-M small molecule compound
(5E)-5-{3-bromo-4-[(4-methylbenzyl)oxy]benzylidene}-3-(4-methoxybenzyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL416035
SMILES COc1ccc(cc1)CN1C(=S)S/C(=C/c2ccc(c(c2)Br)OCc2ccc(cc2)C)/C1=O
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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 C26H22BrNO3S2 MW 540.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrNO3S2/c1-17-3-5-19(6-4-17)16-31-23-12-9-20(13-22(23)27)14-24-25(29)28(26(32)33-24)15-18-7-10-21(30-2)11-8-18/h3-14H,15-16H2,1-2H3/b24-14+InChIKey
SQHGIABMIUVDAY-ZVHZXABRSA-NSynonyms
(5E)5((3bromo4((4methylphenyl)methoxy)phenyl)methylidene)3((4methoxyphenyl)methyl)2sulfanylidene13thiazolidin4one
(5E)5(3bromo4((4methylbenzyl)oxy)benzylidene)3(4methoxybenzyl)2thioxo13thiazolidin4one
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)OC)Br
COc1ccc(cc1)CN1C(=S)SC(=Cc2ccc(c(c2)Br)OCc2ccc(cc2)C)C1=O
InChI=1SC26H22BrNO3S2c1173519(6417)16312312920(1322(23)27)142425(29)28(26(32)3324)151871021(302)11818h314H1516H212H3b2414+
MFCD30706927
ZINC000210076740
ZINC210076740
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