Vitas-M small molecule compound

ethyl 2-methyl-5-oxo-4,7-di(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK081645
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cccs1)C(=O)CC(C2)c1cccs1

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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 C21H21NO3S2 MW 399.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO3S2/c1-3-25-21(24)18-12(2)22-14-10-13(16-6-4-8-26-16)11-15(23)19(14)20(18)17-7-5-9-27-17/h4-9,13,20,22H,3,10-11H2,1-2H3
InChIKey
KVZFLJYASPWZRJ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C)NC2=C(C1c1cccs1)C(=O)CC(C2)c1cccs1
CCOC(=O)C1=C(NC2=C(C1C3=CC=CS3)C(=O)CC(C2)C4=CC=CS4)C
ethyl2methyl5oxo47di(thiophen2yl)145678hexahydroquinoline3carboxylate
ethyl2methyl5oxo47dithiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC21H21NO3S2c132521(24)1812(2)22141013(166482616)1115(23)19(14)20(18)177592717h49132022H31011H212H3
MFCD02627268
STK081645
ZINC000096129780
ZINC000096129783

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Available files

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