Vitas-M small molecule compound

2-(1-acetyl-1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione

Catalog ID
STK726979
SMILES O=C1CC(C)(C)CC(=O)C1c1cn(c2c1cccc2)C(=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 C18H19NO3 MW 297.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO3/c1-11(20)19-10-13(12-6-4-5-7-14(12)19)17-15(21)8-18(2,3)9-16(17)22/h4-7,10,17H,8-9H2,1-3H3
InChIKey
KOHOMCTVUXTSTM-UHFFFAOYSA-N
Synonyms
312757-62-3
1ACETYL3(44DIMETHYL26DIOXOCYCLOHEXYL)INDOLE
2(1acetyl1Hindol3yl)55dimethylcyclohexane13dione
2(1ACETYLINDOL3YL)55DIMETHYLCYCLOHEXANE13DIONE
312757623
CC(=O)N1C=C(C2=CC=CC=C21)C3C(=O)CC(CC3=O)(C)C
InChI=1SC18H19NO3c111(20)191013(12645714(12)19)1715(21)818(23)916(17)22h471017H89H213H3
MFCD00612477
ZINC000000297819
ZINC00297819
ZINC297819

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Available files

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