Vitas-M small molecule compound

2-phenoxyethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK047071
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc(Cl)c(c(c1)OC)O)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 C33H32ClNO7 MW 590.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32ClNO7/c1-19-29(33(38)42-14-13-41-24-7-5-4-6-8-24)30(22-15-25(34)32(37)28(18-22)40-3)31-26(35-19)16-21(17-27(31)36)20-9-11-23(39-2)12-10-20/h4-12,15,18,21,30,35,37H,13-14,16-17H2,1-3H3
InChIKey
AUQWYBAKCDNTOD-UHFFFAOYSA-N
Synonyms
312586-65-5
2phenoxyethyl4(3chloro4hydroxy5methoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(3chloro4hydroxy5methoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
312586655
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C(=C4)Cl)O)OC)C(=O)OCCOC5=CC=CC=C5
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc(Cl)c(c(c1)OC)O)C(=O)OCCOc1ccccc1)C
InChI=1SC33H32ClNO7c11929(33(38)42141341247546824)30(221525(34)32(37)28(1822)403)3126(3519)1621(1727(31)36)2091123(392)121020h412151821303537H13141617H213H3
MFCD01823676
STK047071
ZINC000100552356
ZINC000100552365

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.