Vitas-M small molecule compound
2-phenoxyethyl 4-[3-(benzyloxy)-4-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK028368
SMILES COc1ccc(cc1OCc1ccccc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCOc1ccccc1
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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 C33H33NO6 MW 539.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33NO6/c1-22-30(33(36)39-19-18-38-25-12-7-4-8-13-25)31(32-26(34-22)14-9-15-27(32)35)24-16-17-28(37-2)29(20-24)40-21-23-10-5-3-6-11-23/h3-8,10-13,16-17,20,31,34H,9,14-15,18-19,21H2,1-2H3InChIKey
VLXLDFDHOQYYOH-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(3(benzyloxy)4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(4methoxy3phenylmethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)C(=O)OCCOC5=CC=CC=C5
COc1ccc(cc1OCc1ccccc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCOc1ccccc1
InChI=1SC33H33NO6c12230(33(36)3919183825127481325)31(3226(3422)1491527(32)35)24161728(372)29(2024)402123105361123h3810131617203134H91415181921H212H3
MFCD02188574
STK028368
ZINC000002776580
ZINC000002776581
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