Vitas-M small molecule compound

butyl 4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK081356
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1Cl)Cl)C(=O)CC(C2)(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 C23H27Cl2NO3 MW 436.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27Cl2NO3/c1-5-6-9-29-22(28)19-13(2)26-17-11-23(3,4)12-18(27)21(17)20(19)15-8-7-14(24)10-16(15)25/h7-8,10,20,26H,5-6,9,11-12H2,1-4H3
InChIKey
CGOHDXAYDRPWCW-UHFFFAOYSA-N
Synonyms

butyl4(24dichlorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
butyl4(24dichlorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1Cl)Cl)C(=O)CC(C2)(C)C
CCCCOC(=O)C1=C(NC2=C(C1C3=C(C=C(C=C3)Cl)Cl)C(=O)CC(C2)(C)C)C
InChI=1SC23H27Cl2NO3c15692922(28)1913(2)26171123(34)1218(27)21(17)20(19)158714(24)1016(15)25h78102026H5691112H214H3
MFCD00619414
STK081356
ZINC000002795856
ZINC000002795857

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Available files

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