Vitas-M small molecule compound

Catalog ID
STL322506
SMILES Clc1ccc2c(c1)cc1c(c2)C[N+]2(C1)CCOCC2

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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 C16H17ClNO MW 274.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClNO/c17-16-2-1-12-7-14-10-18(3-5-19-6-4-18)11-15(14)8-13(12)9-16/h1-2,7-9H,3-6,10-11H2/q+1
InChIKey
BYVYIGPAJJIOAF-UHFFFAOYSA-N
Synonyms

6chloro13dihydrospiro(benzo(f)isoindole24morpholin)2iumbromide
6chlorospiro(13dihydrobenzo(f)isoindol2ium2414oxazinan4ium)
C1COCC(N+)12CC3=C(C2)C=C4C=C(C=CC4=C3)Cl
Clc1ccc2c(c1)cc1c(c2)C(N+)2(C1)CCOCC2
Clc1ccc2c(c1)cc1c(c2)C(N+)2(C1)CCOCC2(Br)
InChI=1SC16H17ClNOc171621127141018(35196418)1115(14)813(12)916h1279H361011H2q+1
MFCD00607992
ZINC000000332654
ZINC00332654
ZINC332654

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Available files

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