Vitas-M small molecule compound

1'-methyl-4'H-spiro[cycloheptane-1,3'-isoquinoline]

Catalog ID
STK538451
SMILES CC1=NC2(CCCCCC2)Cc2c1cccc2

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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 C16H21N MW 227.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N/c1-13-15-9-5-4-8-14(15)12-16(17-13)10-6-2-3-7-11-16/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKey
SCPQSEUKSNMINR-UHFFFAOYSA-N
Synonyms

1methyl4Hspiro(cycloheptane13isoquinoline)
1methyl4Hspiro(cycloheptane13isoquinoline)2hydroxybenzoate
1METHYLSPIRO(4HISOQUINOLINE31CYCLOHEPTANE)
CC1=NC2(CCCCCC2)CC3=CC=CC=C13
InChI=1SC16H21Nc11315954814(15)1216(1713)1062371116h4589H23671012H21H3
MFCD01461150
OC(=O)c1ccccc1OCC1=NC2(CCCCCC2)Cc2c1cccc2
ZINC000001024352
ZINC01024352
ZINC1024352

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Available files

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