Vitas-M small molecule compound

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

Catalog ID
STK050747
SMILES COc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)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 C28H31NO5S MW 493.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5S/c1-16-25(28(31)34-19-7-4-5-8-19)26(17-10-11-22(32-2)23(15-17)33-3)27-20(29-16)13-18(14-21(27)30)24-9-6-12-35-24/h6,9-12,15,18-19,26,29H,4-5,7-8,13-14H2,1-3H3
InChIKey
JXQRGCYAEWNCLJ-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC)C(=O)OC5CCCC5
COc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC1CCCC1
cyclopentyl4(34dimethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl4(34dimethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H31NO5Sc11625(28(31)3419745819)26(17101122(322)23(1517)333)2720(2916)1318(1421(27)30)2496123524h69121518192629H45781314H213H3
MFCD02627307
STK050747
ZINC000001184408
ZINC000001184411

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Available files

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