Vitas-M small molecule compound

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

Catalog ID
STK010328
SMILES CCCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OC1CCCC1

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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 C31H34ClNO4 MW 520.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34ClNO4/c1-3-16-36-24-14-10-21(11-15-24)29-28(31(35)37-25-6-4-5-7-25)19(2)33-26-17-22(18-27(34)30(26)29)20-8-12-23(32)13-9-20/h8-15,22,25,29,33H,3-7,16-18H2,1-2H3
InChIKey
WLBTWEJSMDEORT-UHFFFAOYSA-N
Synonyms

CCCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OC5CCCC5)C
CCCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OC1CCCC1
cyclopentyl7(4chlorophenyl)2methyl5oxo4(4propoxyphenyl)145678hexahydroquinoline3carboxylate
cyclopentyl7(4chlorophenyl)2methyl5oxo4(4propoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H34ClNO4c13163624141021(111524)2928(31(35)3725645725)19(2)33261722(1827(34)30(26)29)2081223(32)13920h81522252933H371618H212H3
MFCD01824433
STK010328
ZINC000008916512
ZINC000008916515

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Available files

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