Vitas-M small molecule compound

2-ethoxyethyl 2,7,7-trimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK402694
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1cccs1)C(=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 C21H27NO4S MW 389.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO4S/c1-5-25-8-9-26-20(24)17-13(2)22-14-11-21(3,4)12-15(23)18(14)19(17)16-7-6-10-27-16/h6-7,10,19,22H,5,8-9,11-12H2,1-4H3
InChIKey
XNSSOYAMQILRHP-UHFFFAOYSA-N
Synonyms

2ethoxyethyl277trimethyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
2ethoxyethyl277trimethyl5oxo4thiophen2yl1468tetrahydroquinoline3carboxylate
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC=CS3)C(=O)CC(C2)(C)C)C
InChI=1SC21H27NO4Sc1525892620(24)1713(2)22141121(34)1215(23)18(14)19(17)1676102716h67101922H5891112H214H3
MFCD02104491
ZINC000002776291
ZINC000002776292

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Available files

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