Vitas-M small molecule compound

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

Catalog ID
STK005751
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1Cl)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 C24H29Cl2NO3 MW 450.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29Cl2NO3/c1-5-6-7-11-30-23(29)19-14(2)27-17-12-24(3,4)13-18(28)21(17)20(19)15-9-8-10-16(25)22(15)26/h8-10,20,27H,5-7,11-13H2,1-4H3
InChIKey
OOLQGCGKGUSZQQ-UHFFFAOYSA-N
Synonyms

CCCCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CC(C2)(C)C
CCCCCOC(=O)C1=C(NC2=C(C1C3=C(C(=CC=C3)Cl)Cl)C(=O)CC(C2)(C)C)C
InChI=1SC24H29Cl2NO3c1567113023(29)1914(2)27171224(34)1318(28)21(17)20(19)15981016(25)22(15)26h8102027H571113H214H3
MFCD00753084
pentyl4(23dichlorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(23dichlorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK005751
ZINC000002055207
ZINC000002055208

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.