Vitas-M small molecule compound

butan-2-yl 4-[4-(acetyloxy)phenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK072958
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OC(=O)C)C(=O)CC(C2)c1ccc(cc1)Cl)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 C29H30ClNO5 MW 508.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClNO5/c1-5-16(2)35-29(34)26-17(3)31-24-14-21(19-6-10-22(30)11-7-19)15-25(33)28(24)27(26)20-8-12-23(13-9-20)36-18(4)32/h6-13,16,21,27,31H,5,14-15H2,1-4H3
InChIKey
SSIDHYMYMMSQMK-UHFFFAOYSA-N
Synonyms

butan2yl4(4(acetyloxy)phenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl4(4acetyloxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OC(=O)C)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OC(=O)C)C(=O)CC(C2)c1ccc(cc1)Cl)C
InChI=1SC29H30ClNO5c1516(2)3529(34)2617(3)31241421(1961022(30)11719)1525(33)28(24)27(26)2081223(13920)3618(4)32h61316212731H51415H214H3
MFCD02632892
STK072958
ZINC000019761332
ZINC000035817494

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Available files

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