Vitas-M small molecule compound

methyl 3-[(4-bromo-2-methylphenyl)carbamoyl]-5-nitrobenzoate

Catalog ID
STK062041
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1ccc(cc1C)Br

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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 C16H13BrN2O5 MW 393.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN2O5/c1-9-5-12(17)3-4-14(9)18-15(20)10-6-11(16(21)24-2)8-13(7-10)19(22)23/h3-8H,1-2H3,(H,18,20)
InChIKey
LAGKCNADOOGDJF-UHFFFAOYSA-N
Synonyms
329932-36-7
329932367
CC1=C(C=CC(=C1)Br)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1ccc(cc1C)Br
InChI=1SC16H13BrN2O5c19512(17)3414(9)1815(20)10611(16(21)242)813(710)19(22)23h38H12H3(H1820)
METHYL3((4BROMO2METHYLPHENYL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(4BROMO2METHYLPHENYL)CARBAMOYL)3NITROBENZOATE
MFCD01197012
STK062041
ZINC000001097983
ZINC01097983
ZINC1097983

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Available files

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