Vitas-M small molecule compound

7-chloro-4-ethyl-2-methyl-4,5-dihydro-1,4-benzoxazepin-3(2H)-one

Catalog ID
STL130376
SMILES CCN1Cc2cc(Cl)ccc2OC(C1=O)C

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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 C12H14ClNO2 MW 239.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14ClNO2/c1-3-14-7-9-6-10(13)4-5-11(9)16-8(2)12(14)15/h4-6,8H,3,7H2,1-2H3
InChIKey
IKFCYGMDWHDCJO-UHFFFAOYSA-N
Synonyms

7chloro4ethyl2methyl45dihydro14benzoxazepin3(2H)one
7chloro4ethyl2methyl5H14benzoxazepin3one
CCN1CC2=C(C=CC(=C2)Cl)OC(C1=O)C
InChI=1SC12H14ClNO2c131479610(13)4511(9)168(2)12(14)15h468H37H212H3
MFCD20749808
ZINC000064542472
ZINC000064542473

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Available files

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