Vitas-M small molecule compound

ethyl {4-bromo-2-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy}acetate

Catalog ID
STK728566
SMILES CCOC(=O)COc1ccc(cc1/C=C/c1onc(c1[N+](=O)[O-])C)Br

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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 C16H15BrN2O6 MW 411.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrN2O6/c1-3-23-15(20)9-24-13-7-5-12(17)8-11(13)4-6-14-16(19(21)22)10(2)18-25-14/h4-8H,3,9H2,1-2H3/b6-4+
InChIKey
YFHOJYKFOLCZLG-GQCTYLIASA-N
Synonyms

CCOC(=O)COC1=C(C=C(C=C1)Br)C=CC2=C(C(=NO2)C)(N+)(=O)(O)
CCOC(=O)COc1ccc(cc1C=Cc1onc(c1(N+)(=O)(O))C)Br
ethyl(4bromo2((E)2(3methyl4nitro12oxazol5yl)ethenyl)phenoxy)acetate
ETHYL2(4BROMO2((E)2(3METHYL4NITRO12OXAZOL5YL)ETHENYL)PHENOXY)ACETATE
InChI=1SC16H15BrN2O6c132315(20)924137512(17)811(13)461416(19(21)22)10(2)182514h48H39H212H3b64+
MFCD07022438
ZINC000004770215
ZINC04770215
ZINC4770215

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.