Vitas-M small molecule compound

5-propanoyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one

Catalog ID
STK676290
SMILES CCC(=O)N1CCC(=O)Nc2c1cccc2

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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 C12H14N2O2 MW 218.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2O2/c1-2-12(16)14-8-7-11(15)13-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,13,15)
InChIKey
PTOCVGNHEKHEAP-UHFFFAOYSA-N
Synonyms

5propanoyl1345tetrahydro2H15benzodiazepin2one
5PROPANOYL1H3H4HBENZO(B)14DIAZAPERHYDROEPIN2ONE
5PROPANOYL34DIHYDRO1H15BENZODIAZEPIN2ONE
CCC(=O)N1CCC(=O)NC2=CC=CC=C21
InChI=1SC12H14N2O2c1212(16)148711(15)139534610(9)14h36H278H21H3(H1315)
MFCD01334019
ZINC000000268900
ZINC00268900
ZINC268900

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Available files

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