Vitas-M small molecule compound

methyl 4-[1-(1H-indol-3-yl)-2-nitroethyl]benzoate

Catalog ID
STK728620
SMILES COC(=O)c1ccc(cc1)C(c1c[nH]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 C18H16N2O4 MW 324.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O4/c1-24-18(21)13-8-6-12(7-9-13)16(11-20(22)23)15-10-19-17-5-3-2-4-14(15)17/h2-10,16,19H,11H2,1H3
InChIKey
OAZLTQNRHLJEGC-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)C(C(N+)(=O)(O))C2=CNC3=CC=CC=C32
COC(=O)c1ccc(cc1)C(c1c(nH)c2c1cccc2)C(N+)(=O)(O)
InChI=1SC18H16N2O4c12418(21)138612(7913)16(1120(22)23)15101917532414(15)17h2101619H11H21H3
methyl4(1(1Hindol3yl)2nitroethyl)benzoate
METHYL4(1INDOL3YL2NITROETHYL)BENZOATE
MFCD06015148
ZINC000004721823
ZINC000004721824

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Available files

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