Vitas-M small molecule compound

1-[2,5-dioxo-4-(thiophen-3-yl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

Catalog ID
STK689163
SMILES N#Cc1c(C)cc(n(c1=O)N1C(=O)CC(C2=C1CCCC2=O)c1cscc1)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 C21H19N3O3S MW 393.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O3S/c1-12-8-13(2)23(21(27)16(12)10-22)24-17-4-3-5-18(25)20(17)15(9-19(24)26)14-6-7-28-11-14/h6-8,11,15H,3-5,9H2,1-2H3
InChIKey
HRNJPHYHHIEYBA-UHFFFAOYSA-N
Synonyms

1(25dioxo4(thiophen3yl)345678hexahydroquinolin1(2H)yl)46dimethyl2oxo12dihydropyridine3carbonitrile
1(25dioxo4thiophen3yl4678tetrahydro3Hquinolin1yl)46dimethyl2oxopyridine3carbonitrile
CC1=CC(=C(C(=O)N1N2C3=C(C(CC2=O)C4=CSC=C4)C(=O)CCC3)C#N)C
InChI=1SC21H19N3O3Sc112813(2)23(21(27)16(12)1022)241743518(25)20(17)15(919(24)26)1467281114h681115H359H212H3
MFCD07800662
ZINC000006667835
ZINC000006667836

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Available files

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