Vitas-M small molecule compound
2-phenoxyethyl 4-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK086630
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1OC)C(=O)OCCOc1ccccc1)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 C33H33NO6 MW 539.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33NO6/c1-21-30(33(36)40-18-17-39-25-9-5-4-6-10-25)31(26-11-7-8-12-29(26)38-3)32-27(34-21)19-23(20-28(32)35)22-13-15-24(37-2)16-14-22/h4-16,23,31,34H,17-20H2,1-3H3InChIKey
KJSDZCUULQFACH-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(2methoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(2methoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4OC)C(=O)OCCOC5=CC=CC=C5
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1OC)C(=O)OCCOc1ccccc1)C
InChI=1SC33H33NO6c12130(33(36)401817392595461025)31(2611781229(26)383)3227(3421)1923(2028(32)35)22131524(372)161422h416233134H1720H213H3
MFCD01823519
STK086630
ZINC000002757382
ZINC000002757385
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