Vitas-M small molecule compound

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

Catalog ID
STK402682
SMILES O=C(C1=C(C)NC2=C(C1c1cccs1)C(=O)CC(C2)(C)C)OCC1CCCO1

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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 C22H27NO4S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4S/c1-13-18(21(25)27-12-14-6-4-8-26-14)20(17-7-5-9-28-17)19-15(23-13)10-22(2,3)11-16(19)24/h5,7,9,14,20,23H,4,6,8,10-12H2,1-3H3
InChIKey
MCZUECQATIWKAX-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CS3)C(=O)OCC4CCCO4
InChI=1SC22H27NO4Sc11318(21(25)2712146482614)20(177592817)1915(2313)1022(23)1116(19)24h579142023H4681012H213H3
MFCD02104391
oxolan2ylmethyl277trimethyl5oxo4thiophen2yl1468tetrahydroquinoline3carboxylate
tetrahydrofuran2ylmethyl277trimethyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000019772338
ZINC000019772344

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Available files

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