Vitas-M small molecule compound
cyclopentyl 4-[4-(benzyloxy)phenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK066470
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)OCc1ccccc1)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 C36H37NO5 MW 563.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37NO5/c1-23-33(36(39)42-30-10-6-7-11-30)34(26-14-18-29(19-15-26)41-22-24-8-4-3-5-9-24)35-31(37-23)20-27(21-32(35)38)25-12-16-28(40-2)17-13-25/h3-5,8-9,12-19,27,30,34,37H,6-7,10-11,20-22H2,1-2H3InChIKey
MFNKFIPQRKPHSU-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)OC6CCCC6
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)OCc1ccccc1)C(=O)OC1CCCC1)C
cyclopentyl4(4(benzyloxy)phenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl7(4methoxyphenyl)2methyl5oxo4(4phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
InChI=1SC36H37NO5c12333(36(39)423010671130)34(26141829(191526)4122248435924)3531(3723)2027(2132(35)38)25121628(402)171325h3589121927303437H6710112022H212H3
MFCD01824417
STK066470
ZINC000100575950
ZINC000100575957
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