Vitas-M small molecule compound
2-({4-bromo-2-[(Z)-(1-ethyl-3-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzonitrile
Catalog ID
STL369699
SMILES CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2C#N)/N(C1=S)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 C21H18BrN3O2S MW 456.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3O2S/c1-3-25-20(26)18(24(2)21(25)28)11-16-10-17(22)8-9-19(16)27-13-15-7-5-4-6-14(15)12-23/h4-11H,3,13H2,1-2H3/b18-11-InChIKey
MIYHNDGSRAPTEN-WQRHYEAKSA-NSynonyms
2((4BROMO2((1ETHYL3METHYL5OXO2THIOXOIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((4BROMO2((Z)(1ETHYL3METHYL5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((4bromo2((Z)(1ethyl3methyl5oxo2thioxoimidazolidin4ylidene)methyl)phenoxy)methyl)benzonitrile
CCN1C(=O)C(=CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3C#N)N(C1=S)C
CCN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2C#N)N(C1=S)C
InChI=1SC21H18BrN3O2Sc132520(26)18(24(2)21(25)28)11161017(22)8919(16)271315754614(15)1223h411H313H212H3b1811
MFCD03697222
ZINC000008396207
ZINC08396207
ZINC8396207
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