Vitas-M small molecule compound

2-methylpropyl 7-(4-chlorophenyl)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK363597
SMILES CCOc1ccccc1C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OCC(C)C)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 C29H32ClNO4 MW 494.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32ClNO4/c1-5-34-25-9-7-6-8-22(25)27-26(29(33)35-16-17(2)3)18(4)31-23-14-20(15-24(32)28(23)27)19-10-12-21(30)13-11-19/h6-13,17,20,27,31H,5,14-16H2,1-4H3
InChIKey
QGAXBNIKXDSXNP-UHFFFAOYSA-N
Synonyms

2methylpropyl7(4chlorophenyl)4(2ethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methylpropyl7(4chlorophenyl)4(2ethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OCC(C)C)C
InChI=1SC29H32ClNO4c153425976822(25)2726(29(33)351617(2)3)18(4)31231420(1524(32)28(23)27)19101221(30)131119h61317202731H51416H214H3
MFCD01445699
ZINC000004067773
ZINC000004067776

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Available files

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