Vitas-M small molecule compound
2-[(2-{(E)-[3-(3,4-dimethylphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4,6-diiodophenoxy)methyl]benzonitrile
Catalog ID
STL419118
SMILES N#Cc1ccccc1COc1c(cc(cc1I)I)/C=C\1/SC(=S)N(C1=O)c1ccc(c(c1)C)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 C26H18I2N2O2S2 MW 708.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18I2N2O2S2/c1-15-7-8-21(9-16(15)2)30-25(31)23(34-26(30)33)11-19-10-20(27)12-22(28)24(19)32-14-18-6-4-3-5-17(18)13-29/h3-12H,14H2,1-2H3/b23-11+InChIKey
IDDKJNLFSLFYQT-FOKLQQMPSA-NSynonyms
2((2((E)(3(34DIMETHYLPHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)46DIIODOPHENOXY)METHYL)BENZONITRILE
2((2((E)(3(34dimethylphenyl)4oxo2thioxo13thiazolidin5ylidene)methyl)46diiodophenoxy)methyl)benzonitrile
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=CC(=C3OCC4=CC=CC=C4C#N)I)I)SC2=S)C
InChI=1SC26H18I2N2O2S2c1157821(916(15)2)3025(31)23(3426(30)33)11191020(27)1222(28)24(19)321418643517(18)1329h312H14H212H3b2311+
MFCD03614177
N#Cc1ccccc1COc1c(cc(cc1I)I)C=C1SC(=S)N(C1=O)c1ccc(c(c1)C)C
ZINC000150386532
ZINC150386532
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