Vitas-M small molecule compound

methyl 3-(2,3-dihydro-1H-indol-1-ylcarbonyl)-5-nitrobenzoate

Catalog ID
STK030736
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCc2c1cccc2

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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 C17H14N2O5 MW 326.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O5/c1-24-17(21)13-8-12(9-14(10-13)19(22)23)16(20)18-7-6-11-4-2-3-5-15(11)18/h2-5,8-10H,6-7H2,1H3
InChIKey
AFOMMKFRRGKKRA-UHFFFAOYSA-N
Synonyms
329932-15-2
3(23DIHYDROINDOLE1CARBONYL)5NITROBENZOICACIDMETHYLESTER
329932152
BENZOICACID3(23DIHYDRO1INDOLYLCARBONYL)5NITROMETHYLESTER
COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC3=CC=CC=C32)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)N1CCc2c1cccc2
InChI=1SC17H14N2O5c12417(21)13812(914(1013)19(22)23)16(20)187611423515(11)18h25810H67H21H3
METHYL3(23DIHYDRO1HINDOL1YLCARBONYL)5NITROBENZOATE
METHYL3(23DIHYDROINDOLE1CARBONYL)5NITROBENZOATE
METHYL3(INDOLINYLCARBONYL)5NITROBENZOATE
MFCD01196980
STK030736
ZINC000000060848
ZINC00060848
ZINC60848

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Available files

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