Vitas-M small molecule compound

methyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK032844
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC(=O)C)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 C25H25NO6S MW 467.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO6S/c1-13-22(25(29)31-4)23(15-7-8-19(32-14(2)27)20(12-15)30-3)24-17(26-13)10-16(11-18(24)28)21-6-5-9-33-21/h5-9,12,16,23,26H,10-11H2,1-4H3
InChIKey
SSNHXSXJTZWURE-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC(=O)C)C(=O)CC(C2)c1cccs1
InChI=1SC25H25NO6Sc11322(25(29)314)23(157819(3214(2)27)20(1215)303)2417(2613)1016(1118(24)28)216593321h5912162326H1011H214H3
methyl4(4(acetyloxy)3methoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
methyl4(4acetyloxy3methoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
MFCD02188811
STK032844
ZINC000000717241
ZINC000002776324

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Available files

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