Vitas-M small molecule compound

4-(3-bromo-4-methylphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione

Catalog ID
STK406244
SMILES O=C1NC2=C(C(C1)c1ccc(c(c1)Br)C)C(=O)CCC2

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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 C16H16BrNO2 MW 334.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrNO2/c1-9-5-6-10(7-12(9)17)11-8-15(20)18-13-3-2-4-14(19)16(11)13/h5-7,11H,2-4,8H2,1H3,(H,18,20)
InChIKey
MSYWXUFHHYPHDZ-UHFFFAOYSA-N
Synonyms

4(3bromo4methylphenyl)134678hexahydroquinoline25dione
4(3bromo4methylphenyl)4678tetrahydroquinoline25(1H3H)dione
CC1=C(C=C(C=C1)C2CC(=O)NC3=C2C(=O)CCC3)Br
InChI=1SC16H16BrNO2c195610(712(9)17)11815(20)181332414(19)16(11)13h5711H248H21H3(H1820)
MFCD06754687
ZINC000004078651
ZINC000004078654
ZINC04078651

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Available files

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