Vitas-M small molecule compound
2-({2-bromo-4-[(Z)-{2-[(4-ethoxyphenyl)amino]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenoxy}methyl)benzonitrile
Catalog ID
STK330699
SMILES CCOc1ccc(cc1)NC1=NC(=O)/C(=C/c2ccc(c(c2)Br)OCc2ccccc2C#N)/S1
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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 C26H20BrN3O3S MW 534.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20BrN3O3S/c1-2-32-21-10-8-20(9-11-21)29-26-30-25(31)24(34-26)14-17-7-12-23(22(27)13-17)33-16-19-6-4-3-5-18(19)15-28/h3-14H,2,16H2,1H3,(H,29,30,31)/b24-14-InChIKey
HFAHEQJLHGSZHJ-OYKKKHCWSA-NSynonyms
2((2bromo4((Z)(2((4ethoxyphenyl)amino)4oxo13thiazol5(4H)ylidene)methyl)phenoxy)methyl)benzonitrile
2((2bromo4((Z)(2(4ethoxyanilino)4oxo13thiazol5ylidene)methyl)phenoxy)methyl)benzonitrile
CCOC1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4C#N)Br)S2
CCOc1ccc(cc1)NC1=NC(=O)C(=Cc2ccc(c(c2)Br)OCc2ccccc2C#N)S1
InChI=1SC26H20BrN3O3Sc12322110820(91121)29263025(31)24(3426)141771223(22(27)1317)331619643518(19)1528h314H216H21H3(H293031)b2414
MFCD09962307
ZINC000097962630
ZINC97962630
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