Vitas-M small molecule compound
2-phenylethyl 4-(2,3-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK047550
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1OC)OC)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 C34H35NO6 MW 553.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H35NO6/c1-21-30(34(37)41-18-17-22-9-6-5-7-10-22)31(26-11-8-12-29(39-3)33(26)40-4)32-27(35-21)19-24(20-28(32)36)23-13-15-25(38-2)16-14-23/h5-16,24,31,35H,17-20H2,1-4H3InChIKey
SADVFWXDYIBPGF-UHFFFAOYSA-NSynonyms
2phenylethyl4(23dimethoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(23dimethoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=C(C(=CC=C4)OC)OC)C(=O)OCCC5=CC=CC=C5
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1OC)OC)C(=O)OCCc1ccccc1)C
InChI=1SC34H35NO6c12130(34(37)4118172296571022)31(261181229(393)33(26)404)3227(3521)1924(2028(32)36)23131525(382)161423h516243135H1720H214H3
MFCD01823513
STK047550
ZINC000000801110
ZINC000000801116
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