Vitas-M small molecule compound

methyl (4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate

Catalog ID
STK777615
SMILES COC(=O)Cc1cc(=O)[nH]c2c([nH]1)cccc2

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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 C12H12N2O3 MW 232.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N2O3/c1-17-12(16)7-8-6-11(15)14-10-5-3-2-4-9(10)13-8/h2-6,13H,7H2,1H3,(H,14,15)
InChIKey
CTILPASCHMQIMS-UHFFFAOYSA-N
Synonyms
91392-96-0
91392960
COC(=O)CC1=CC(=O)NC2=CC=CC=C2N1
COC(=O)Cc1cc(=O)(nH)c2c((nH)1)cccc2
InChI=1SC12H12N2O3c11712(16)78611(15)141053249(10)138h2613H7H21H3(H1415)
methyl(4oxo45dihydro1H15benzodiazepin2yl)acetate
METHYL2(2OXO15DIHYDRO15BENZODIAZEPIN4YL)ACETATE
METHYL2(2OXO1H5HBENZO(B)14DIAZEPIN4YL)ACETATE
METHYL2(4OXO45DIHYDRO1H15BENZODIAZEPIN2YL)ACETATE
MFCD05854735
ZINC000097086652
ZINC17994720
ZINC97086652

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Available files

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