Vitas-M small molecule compound
2-phenylethyl 4-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK008859
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1OC)C(=O)OCCc1ccccc1)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 C33H33NO5 MW 523.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33NO5/c1-21-30(33(36)39-18-17-22-9-5-4-6-10-22)31(26-11-7-8-12-29(26)38-3)32-27(34-21)19-24(20-28(32)35)23-13-15-25(37-2)16-14-23/h4-16,24,31,34H,17-20H2,1-3H3InChIKey
QCLBTILWSZSRMP-UHFFFAOYSA-NSynonyms
2phenylethyl4(2methoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(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)OCCC5=CC=CC=C5
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1OC)C(=O)OCCc1ccccc1)C
InChI=1SC33H33NO5c12130(33(36)3918172295461022)31(2611781229(26)383)3227(3421)1924(2028(32)35)23131525(372)161423h416243134H1720H213H3
MFCD01823673
STK008859
ZINC000000801122
ZINC000000801125
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