Vitas-M small molecule compound

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

Catalog ID
STK403019
SMILES COc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCc1ccc(cc1)OC)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 C31H31NO6S MW 545.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31NO6S/c1-18-28(31(34)38-17-19-7-9-21(35-2)10-8-19)29(23-16-22(36-3)11-12-26(23)37-4)30-24(32-18)14-20(15-25(30)33)27-6-5-13-39-27/h5-13,16,20,29,32H,14-15,17H2,1-4H3
InChIKey
MQSGDRDGWCIVAE-UHFFFAOYSA-N
Synonyms

(4methoxyphenyl)methyl4(25dimethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl4(25dimethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C=CC(=C4)OC)OC)C(=O)OCC5=CC=C(C=C5)OC
InChI=1SC31H31NO6Sc11828(31(34)3817197921(352)10819)29(231622(363)111226(23)374)3024(3218)1420(1525(30)33)2765133927h51316202932H141517H214H3
MFCD03371033
ZINC000001431251
ZINC000001431254

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Available files

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