Vitas-M small molecule compound

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

Catalog ID
STK363620
SMILES CCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCC(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 C30H34ClNO5 MW 524.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34ClNO5/c1-6-36-25-12-9-20(15-26(25)35-5)28-27(30(34)37-16-17(2)3)18(4)32-23-13-21(14-24(33)29(23)28)19-7-10-22(31)11-8-19/h7-12,15,17,21,28,32H,6,13-14,16H2,1-5H3
InChIKey
AABDQTZCKRRKBI-UHFFFAOYSA-N
Synonyms

2methylpropyl7(4chlorophenyl)4(4ethoxy3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methylpropyl7(4chlorophenyl)4(4ethoxy3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OCC(C)C)C)OC
InChI=1SC30H34ClNO5c16362512920(1526(25)355)2827(30(34)371617(2)3)18(4)32231321(1424(33)29(23)28)1971022(31)11819h7121517212832H6131416H215H3
MFCD01446331
ZINC000004067942
ZINC000004067945

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Available files

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