Vitas-M small molecule compound

N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine

Catalog ID
STK970641
SMILES N(CC1OCc2c(CO1)cccc2)CCc1ccccc1

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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 C18H21NO2 MW 283.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO2/c1-2-6-15(7-3-1)10-11-19-12-18-20-13-16-8-4-5-9-17(16)14-21-18/h1-9,18-19H,10-14H2
InChIKey
SNFFCNVQBHSBIT-UHFFFAOYSA-N
Synonyms
844652-32-0
844652320
C1C2=CC=CC=C2COC(O1)CNCCC3=CC=CC=C3
InChI=1SC18H21NO2c12615(731)1011191218201316845917(16)142118h191819H1014H2
MFCD04159199
N((15dihydrobenzo(e)(13)dioxepin3yl)methyl)2phenylethanamine
N(15dihydro24benzodioxepin3ylmethyl)2phenylethanamine
ZINC000002471626
ZINC2471626

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Available files

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