Vitas-M small molecule compound

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

Catalog ID
STK046659
SMILES COc1cc(OC)c(cc1C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC1CCCC1)OC

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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 C29H33NO6S MW 523.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO6S/c1-16-26(29(32)36-18-8-5-6-9-18)27(19-14-23(34-3)24(35-4)15-22(19)33-2)28-20(30-16)12-17(13-21(28)31)25-10-7-11-37-25/h7,10-11,14-15,17-18,27,30H,5-6,8-9,12-13H2,1-4H3
InChIKey
OZXOHCXXZLFYIA-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C=C4OC)OC)OC)C(=O)OC5CCCC5
COc1cc(OC)c(cc1C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC1CCCC1)OC
cyclopentyl2methyl5oxo7(thiophen2yl)4(245trimethoxyphenyl)145678hexahydroquinoline3carboxylate
cyclopentyl2methyl5oxo7thiophen2yl4(245trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H33NO6Sc11626(29(32)3618856918)27(191423(343)24(354)1522(19)332)2820(3016)1217(1321(28)31)25107113725h71011141517182730H56891213H214H3
MFCD02627246
STK046659
ZINC000000717699
ZINC000000717702

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Available files

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