Vitas-M small molecule compound
cyclopentyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403079
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1cccs1)C(=O)OC1CCCC1)C
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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 C27H29NO4S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO4S/c1-16-24(27(30)32-18-8-3-4-9-18)26(23-12-7-13-33-23)25-20(28-16)14-17(15-21(25)29)19-10-5-6-11-22(19)31-2/h5-7,10-13,17-18,26,28H,3-4,8-9,14-15H2,1-2H3InChIKey
MXGHLBYJKISTFE-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC=CS4)C(=O)OC5CCCC5
cyclopentyl7(2methoxyphenyl)2methyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl7(2methoxyphenyl)2methyl5oxo4thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H29NO4Sc11624(27(30)3218834918)26(23127133323)2520(2816)1417(1521(25)29)1910561122(19)312h57101317182628H34891415H212H3
MFCD03146954
ZINC000001156205
ZINC000001156208
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