Vitas-M small molecule compound

ethyl [4'-(nitromethyl)-2,3'-biquinolin-1'(4'H)-yl]acetate

Catalog ID
STK766952
SMILES CCOC(=O)CN1C=C(c2ccc3c(n2)cccc3)C(c2c1cccc2)C[N+](=O)[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 C23H21N3O4 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4/c1-2-30-23(27)15-25-13-19(21-12-11-16-7-3-5-9-20(16)24-21)18(14-26(28)29)17-8-4-6-10-22(17)25/h3-13,18H,2,14-15H2,1H3
InChIKey
CZZFZPNFLWXKHZ-UHFFFAOYSA-N
Synonyms

2(4(NITROMETHYL)3(2QUINOLINYL)4HQUINOLIN1YL)ACETICACIDETHYLESTER
2(4(NITROMETHYL)3(2QUINOLYL)4HQUINOLIN1YL)ACETICACIDETHYLESTER
CCOC(=O)CN1C=C(C(C2=CC=CC=C21)C(N+)(=O)(O))C3=NC4=CC=CC=C4C=C3
CCOC(=O)CN1C=C(c2ccc3c(n2)cccc3)C(c2c1cccc2)C(N+)(=O)(O)
ETHYL((4S)4(NITROMETHYL)23BIQUINOLIN1(4H)YL)ACETATE
ethyl(4(nitromethyl)23biquinolin1(4H)yl)acetate
ETHYL2(4(NITROMETHYL)3(2QUINOLYL)14DIHYDROQUINOLYL)ACETATE
ETHYL2(4(NITROMETHYL)3QUINOLIN2YL4HQUINOLIN1YL)ACETATE
ETHYL2(4(NITROMETHYL)3QUINOLIN2YL4HQUINOLIN1YL)ETHANOATE
InChI=1SC23H21N3O4c123023(27)15251319(21121116735920(16)2421)18(1426(28)29)178461022(17)25h31318H21415H21H3
MFCD03036444
ZINC000001087906
ZINC000001087907

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Available files

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