Vitas-M small molecule compound
2-({4-[(E)-{(2E)-2-[(3,5-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl]-2-methoxyphenoxy}methyl)benzonitrile
Catalog ID
STL439105
SMILES COc1cc(ccc1OCc1ccccc1C#N)/C=C\1/S/C(=N/c2cc(C)cc(c2)C)/NC1=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 C27H23N3O3S MW 469.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O3S/c1-17-10-18(2)12-22(11-17)29-27-30-26(31)25(34-27)14-19-8-9-23(24(13-19)32-3)33-16-21-7-5-4-6-20(21)15-28/h4-14H,16H2,1-3H3,(H,29,30,31)/b25-14+InChIKey
ADSPFLZZXPLWEI-AFUMVMLFSA-NSynonyms
2((4((E)((2E)2((35dimethylphenyl)imino)4oxo13thiazolidin5ylidene)methyl)2methoxyphenoxy)methyl)benzonitrile
2((4((E)(2(35DIMETHYLANILINO)4OXO13THIAZOL5YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZONITRILE
CC1=CC(=CC(=C1)NC2=NC(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4C#N)OC)S2)C
COc1cc(ccc1OCc1ccccc1C#N)C=C1SC(=Nc2cc(C)cc(c2)C)NC1=O
InChI=1SC27H23N3O3Sc1171018(2)1222(1117)29273026(31)25(3427)14198923(24(1319)323)331621754620(21)1528h414H16H213H3(H293031)b2514+
MFCD06242116
ZINC000033362704
ZINC33362704
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