Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl 2,8-dimethylquinoline-4-carboxylate

Catalog ID
STK252987
SMILES Cc1cc(C(=O)OCC(=O)c2cccc(c2)[N+](=O)[O-])c2c(n1)c(C)ccc2

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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 C20H16N2O5 MW 364.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O5/c1-12-5-3-8-16-17(9-13(2)21-19(12)16)20(24)27-11-18(23)14-6-4-7-15(10-14)22(25)26/h3-10H,11H2,1-2H3
InChIKey
ROJQNKHIIYUUAJ-UHFFFAOYSA-N
Synonyms
354772-71-7
(2(3NITROPHENYL)2OXIDANYLIDENEETHYL)28DIMETHYLQUINOLINE4CARBOXYLATE
(2(3NITROPHENYL)2OXOETHYL)28DIMETHYLQUINOLINE4CARBOXYLATE
2(3NITROPHENYL)2OXOETHYL28DIMETHYL4QUINOLINECARBOXYLATE
2(3nitrophenyl)2oxoethyl28dimethylquinoline4carboxylate
28DIMETHYL4QUINOLINECARBOXYLICACID(2(3NITROPHENYL)2OXOETHYL)ESTER
28DIMETHYLCINCHONINICACID(2KETO2(3NITROPHENYL)ETHYL)ESTER
354772717
CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C
Cc1cc(C(=O)OCC(=O)c2cccc(c2)(N+)(=O)(O))c2c(n1)c(C)ccc2
InChI=1SC20H16N2O5c1125381617(913(2)2119(12)16)20(24)271118(23)1464715(1014)22(25)26h310H11H212H3
MFCD02068177
ZINC000001170975
ZINC01170975
ZINC1170975

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Available files

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