Vitas-M small molecule compound

methyl 3-[(4-iodophenyl)carbamoyl]-5-nitrobenzoate

Catalog ID
STK055282
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1ccc(cc1)I

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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 C15H11IN2O5 MW 426.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11IN2O5/c1-23-15(20)10-6-9(7-13(8-10)18(21)22)14(19)17-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,19)
InChIKey
PZKBGJRZLMFWOR-UHFFFAOYSA-N
Synonyms
329931-82-0
329931820
COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)I)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1ccc(cc1)I
InChI=1SC15H11IN2O5c12315(20)1069(713(810)18(21)22)14(19)17124211(16)3512h28H1H3(H1719)
METHYL3((4IODOPHENYL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(4IODOPHENYL)CARBAMOYL)3NITROBENZOATE
MFCD01196908
STK055282
ZINC000001097971
ZINC01097971
ZINC1097971

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Available files

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