Vitas-M small molecule compound
pentyl 4-(3,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK370765
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Cl)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/c1-5-6-7-10-30-23(29)20-14(2)27-18-12-24(3,4)13-19(28)22(18)21(20)15-8-9-16(25)17(26)11-15/h8-9,11,21,27H,5-7,10,12-13H2,1-4H3InChIKey
KLKRTTAVWAPILA-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)Cl)Cl)C(=O)CC(C2)(C)C)C
InChI=1SC24H29Cl2NO3c1567103023(29)2014(2)27181224(34)1319(28)22(18)21(20)158916(25)17(26)1115h89112127H57101213H214H3
MFCD00334879
pentyl4(34dichlorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(34dichlorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000002990552
ZINC000002990553
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