Vitas-M small molecule compound

2-{(E)-2-[4-(acetyloxy)-3-ethoxy-2-nitrophenyl]ethenyl}quinolin-8-yl acetate

Catalog ID
STK980193
SMILES CCOc1c(ccc(c1[N+](=O)[O-])/C=C/c1ccc2c(n1)c(ccc2)OC(=O)C)OC(=O)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 C23H20N2O7 MW 436.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O7/c1-4-30-23-20(32-15(3)27)13-10-17(22(23)25(28)29)9-12-18-11-8-16-6-5-7-19(21(16)24-18)31-14(2)26/h5-13H,4H2,1-3H3/b12-9+
InChIKey
KQMWGMYCERRTFP-FMIVXFBMSA-N
Synonyms

(4((E)2(8ACETYLOXYQUINOLIN2YL)ETHENYL)2ETHOXY3NITROPHENYL)ACETATE
(4((E)2(8ACETYLOXYQUINOLIN2YL)ETHENYL)2ETHOXY3NITROPHENYL)ETHANOATE
2((E)2(4(acetyloxy)3ethoxy2nitrophenyl)ethenyl)quinolin8ylacetate
2(2(4(ACETYLOXY)3ETHOXY2NITROPHENYL)VINYL)8QUINOLINYLACETATE
ACETICACID(4((E)2(8ACETOXY2QUINOLYL)VINYL)2ETHOXY3NITROPHENYL)ESTER
ACETICACID(4((E)2(8ACETYLOXY2QUINOLINYL)ETHENYL)2ETHOXY3NITROPHENYL)ESTER
CCOC1=C(C=CC(=C1(N+)(=O)(O))C=CC2=NC3=C(C=CC=C3OC(=O)C)C=C2)OC(=O)C
CCOc1c(ccc(c1(N+)(=O)(O))C=Cc1ccc2c(n1)c(ccc2)OC(=O)C)OC(=O)C
InChI=1SC23H20N2O7c14302320(3215(3)27)131017(22(23)25(28)29)912181181665719(21(16)2418)3114(2)26h513H4H213H3b129+
MFCD03719489
ZINC000008666155
ZINC08666155
ZINC8666155

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Available files

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