Vitas-M small molecule compound

4-(3,4-dimethoxyphenyl)-9-ethoxy-4,5-dihydro-1,4-benzoxazepin-3(2H)-one

Catalog ID
STL130307
SMILES CCOc1cccc2c1OCC(=O)N(C2)c1ccc(c(c1)OC)OC

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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 C19H21NO5 MW 343.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO5/c1-4-24-16-7-5-6-13-11-20(18(21)12-25-19(13)16)14-8-9-15(22-2)17(10-14)23-3/h5-10H,4,11-12H2,1-3H3
InChIKey
MVKOFJVJQXQDNX-UHFFFAOYSA-N
Synonyms

4(34dimethoxyphenyl)9ethoxy45dihydro14benzoxazepin3(2H)one
4(34dimethoxyphenyl)9ethoxy5H14benzoxazepin3one
CCOC1=CC=CC2=C1OCC(=O)N(C2)C3=CC(=C(C=C3)OC)OC
InChI=1SC19H21NO5c142416756131120(18(21)122519(13)16)148915(222)17(1014)233h510H41112H213H3
MFCD20749739
ZINC000065184495
ZINC65184495

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Available files

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