Vitas-M small molecule compound

phenyl[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxy]methanone

Catalog ID
STL266029
SMILES O=C(c1ccccc1)ONC1=NCCCCC1

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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 C13H16N2O2 MW 232.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O2/c16-13(11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-14-12/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,15)
InChIKey
SNEJLYBABBKNLV-UHFFFAOYSA-N
Synonyms

(3456tetrahydro2Hazepin7ylamino)benzoate
C1CCC(=NCC1)NOC(=O)C2=CC=CC=C2
InChI=1SC13H16N2O2c1613(117314811)1715129526101412h13478H256910H2(H1415)
MFCD03460527
phenyl((3456tetrahydro2Hazepin7ylamino)oxy)methanone
ZINC000002684567
ZINC2684567

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Available files

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