Vitas-M small molecule compound

2-methyl-8-nitro-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbaldehyde

Catalog ID
STK762391
SMILES O=CN1C(C)CC(=O)Nc2c1cc(cc2)[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 C11H11N3O4 MW 249.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11N3O4/c1-7-4-11(16)12-9-3-2-8(14(17)18)5-10(9)13(7)6-15/h2-3,5-7H,4H2,1H3,(H,12,16)
InChIKey
BYARTMJTIRRZNS-UHFFFAOYSA-N
Synonyms

2methyl8nitro4oxo2345tetrahydro1H15benzodiazepine1carbaldehyde
4METHYL7NITRO2OXO34DIHYDRO1H15BENZODIAZEPINE5CARBALDEHYDE
CC1CC(=O)NC2=C(N1C=O)C=C(C=C2)(N+)(=O)(O)
InChI=1SC11H11N3O4c17411(16)129328(14(17)18)510(9)13(7)615h2357H4H21H3(H1216)
MFCD01872952
O=CN1C(C)CC(=O)Nc2c1cc(cc2)(N+)(=O)(O)
ZINC000004143806
ZINC000004143808

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Available files

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