Vitas-M small molecule compound

2-methylquinolin-8-yl 4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxylate

Catalog ID
STK610198
SMILES Cc1ccc2c(n1)c(ccc2)OC(=O)C12CCC(C2(C)C)(C(=O)C1=O)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 C21H21NO4 MW 351.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4/c1-12-8-9-13-6-5-7-14(15(13)22-12)26-18(25)21-11-10-20(4,19(21,2)3)16(23)17(21)24/h5-9H,10-11H2,1-4H3
InChIKey
XBZNJZUHBRAWLG-UHFFFAOYSA-N
Synonyms
889307-40-8
(2methylquinolin8yl)177trimethyl23dioxobicyclo(221)heptane4carboxylate
2METHYL8QUINOLINYL477TRIMETHYL23DIOXOBICYCLO(221)HEPTANE1CARBOXYLATE
2methylquinolin8yl477trimethyl23dioxobicyclo(221)heptane1carboxylate
889307408
CC1=NC2=C(C=CC=C2OC(=O)C34CCC(C3(C)C)(C(=O)C4=O)C)C=C1
InChI=1SC21H21NO4c112891365714(15(13)2212)2618(25)21111020(419(212)3)16(23)17(21)24h59H1011H214H3
MFCD08291033
ZINC000006719083

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Available files

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