Vitas-M small molecule compound

Catalog ID
STL320860
SMILES O1CC[N+]2(CC1)Cc1c(C2)cccc1

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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 C12H16NO MW 190.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16NO/c1-2-4-12-10-13(9-11(12)3-1)5-7-14-8-6-13/h1-4H,5-10H2/q+1
InChIKey
UFRKUMBRGXFRAG-UHFFFAOYSA-N
Synonyms

C1COCC(N+)12CC3=CC=CC=C3C2
InChI=1SC12H16NOc124121013(911(12)31)57148613h14H510H2q+1
MFCD00484024
O1CC(N+)2(CC1)Cc1c(C2)cccc1
spiro(13dihydroisoindol2ium2414oxazinan4ium)
ZINC000000206959
ZINC00206959
ZINC206959

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Available files

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