Vitas-M small molecule compound

3-cyclopentyl 6-methyl 2,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK404508
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1cccs1)C(=C(N2)C)C(=O)OC1CCCC1

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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 C23H27NO5S MW 429.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO5S/c1-12-11-15-19(21(25)17(12)22(26)28-3)20(16-9-6-10-30-16)18(13(2)24-15)23(27)29-14-7-4-5-8-14/h6,9-10,12,14,17,20,24H,4-5,7-8,11H2,1-3H3
InChIKey
NYELOHXUYPMYHA-UHFFFAOYSA-N
Synonyms

3cyclopentyl6methyl27dimethyl5oxo4(thiophen2yl)145678hexahydroquinoline36dicarboxylate
3Ocyclopentyl6Omethyl27dimethyl5oxo4thiophen2yl4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCC3)C4=CC=CS4)C(=O)C1C(=O)OC
InChI=1SC23H27NO5Sc112111519(21(25)17(12)22(26)283)20(1696103016)18(13(2)2415)23(27)2914745814h69101214172024H457811H213H3
MFCD04220715
ZINC000013482834
ZINC000239165323

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Available files

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