Vitas-M small molecule compound

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

Catalog ID
STK092562
SMILES Cc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC1CCCC1)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 C29H30ClNO3 MW 476.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClNO3/c1-17-7-9-20(10-8-17)27-26(29(33)34-23-5-3-4-6-23)18(2)31-24-15-21(16-25(32)28(24)27)19-11-13-22(30)14-12-19/h7-14,21,23,27,31H,3-6,15-16H2,1-2H3
InChIKey
UILOHAMPATUDDS-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OC5CCCC5)C
Cc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC1CCCC1)C
cyclopentyl7(4chlorophenyl)2methyl4(4methylphenyl)5oxo145678hexahydroquinoline3carboxylate
cyclopentyl7(4chlorophenyl)2methyl4(4methylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H30ClNO3c1177920(10817)2726(29(33)3423534623)18(2)31241521(1625(32)28(24)27)19111322(30)141219h71421232731H361516H212H3
MFCD01824295
STK092562
ZINC000009777940
ZINC000009777957

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Available files

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