Vitas-M small molecule compound

(4-tert-butylphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone

Catalog ID
STK094127
SMILES O=C(N1CCc2c(C1)cccc2)c1ccc(cc1)C(C)(C)C

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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 C20H23NO MW 293.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO/c1-20(2,3)18-10-8-16(9-11-18)19(22)21-13-12-15-6-4-5-7-17(15)14-21/h4-11H,12-14H2,1-3H3
InChIKey
AKKAEPNNCZKJEW-UHFFFAOYSA-N
Synonyms
330216-81-4
(4TERTBUTYLPHENYL)(34DIHYDRO1HISOQUINOLIN2YL)METHANONE
(4TERTBUTYLPHENYL)(34DIHYDROISOQUINOLIN2(1H)YL)METHANONE
330216814
CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2
InChI=1SC20H23NOc120(23)1810816(91118)19(22)21131215645717(15)1421h411H1214H213H3
MFCD01195470
O=C(N1CCc2c(C1)cccc2)c1ccc(cc1)C(C)(C)C
STK094127
ZINC000000995120
ZINC00995120
ZINC995120

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Available files

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