Vitas-M small molecule compound

4-(3-chloro-4-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione

Catalog ID
STK405952
SMILES COc1ccc(cc1Cl)C1CC(=O)NC2=C1C(=O)CC(C2)(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 C18H20ClNO3 MW 333.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClNO3/c1-18(2)8-13-17(14(21)9-18)11(7-16(22)20-13)10-4-5-15(23-3)12(19)6-10/h4-6,11H,7-9H2,1-3H3,(H,20,22)
InChIKey
SIXZGJYVERESOO-UHFFFAOYSA-N
Synonyms

4(3chloro4methoxyphenyl)77dimethyl3468tetrahydro1Hquinoline25dione
4(3chloro4methoxyphenyl)77dimethyl4678tetrahydroquinoline25(1H3H)dione
CC1(CC2=C(C(CC(=O)N2)C3=CC(=C(C=C3)OC)Cl)C(=O)C1)C
InChI=1SC18H20ClNO3c118(2)81317(14(21)918)11(716(22)2013)104515(233)12(19)610h4611H79H213H3(H2022)
MFCD06752792
ZINC000004488857
ZINC000004488858
ZINC04488857

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Available files

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