Vitas-M small molecule compound
2-[(4-{(E)-[3-(2,4-dimethylphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzonitrile
Catalog ID
STK113001
SMILES COc1cc(ccc1OCc1ccccc1C#N)/C=C\1/SC(=S)N(C1=O)c1ccc(cc1C)C
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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 C27H22N2O3S2 MW 486.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O3S2/c1-17-8-10-22(18(2)12-17)29-26(30)25(34-27(29)33)14-19-9-11-23(24(13-19)31-3)32-16-21-7-5-4-6-20(21)15-28/h4-14H,16H2,1-3H3/b25-14+InChIKey
GIAQLSCKORHWOM-AFUMVMLFSA-NSynonyms
2((4((E)(3(24DIMETHYLPHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZONITRILE
2((4((E)(3(24DIMETHYLPHENYL)4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZONITRILE
CC1=CC(=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4C#N)OC)SC2=S)C
COc1cc(ccc1OCc1ccccc1C#N)C=C1SC(=S)N(C1=O)c1ccc(cc1C)C
InChI=1SC27H22N2O3S2c11781022(18(2)1217)2926(30)25(3427(29)33)141991123(24(1319)313)321621754620(21)1528h414H16H213H3b2514+
MFCD05149739
ZINC000009233861
ZINC09233861
ZINC9233861
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