Vitas-M small molecule compound
cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK028985
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1OC(C)C)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 C33H39NO6 MW 545.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39NO6/c1-19(2)39-27-13-9-8-12-24(27)31-30(33(36)40-23-10-6-7-11-23)20(3)34-25-16-22(17-26(35)32(25)31)21-14-15-28(37-4)29(18-21)38-5/h8-9,12-15,18-19,22-23,31,34H,6-7,10-11,16-17H2,1-5H3InChIKey
YHCVXPQSPBKNAE-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4OC(C)C)C(=O)OC5CCCC5
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1OC(C)C)C(=O)OC1CCCC1)C
cyclopentyl7(34dimethoxyphenyl)2methyl5oxo4(2(propan2yloxy)phenyl)145678hexahydroquinoline3carboxylate
cyclopentyl7(34dimethoxyphenyl)2methyl5oxo4(2propan2yloxyphenyl)4678tetrahydro1Hquinoline3carboxylate
InChI=1SC33H39NO6c119(2)392713981224(27)3130(33(36)402310671123)20(3)34251622(1726(35)32(25)31)21141528(374)29(1821)385h891215181922233134H6710111617H215H3
MFCD02224233
STK028985
ZINC000000648091
ZINC000000648106
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