Vitas-M small molecule compound
ethyl 4-(3,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK366735
SMILES CCOC(=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 C21H23Cl2NO3 MW 408.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23Cl2NO3/c1-5-27-20(26)17-11(2)24-15-9-21(3,4)10-16(25)19(15)18(17)12-6-7-13(22)14(23)8-12/h6-8,18,24H,5,9-10H2,1-4H3InChIKey
HIHKHRNPBLIRHA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)Cl)Cl)C(=O)CC(C2)(C)C)C
ethyl4(34dichlorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(34dichlorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC21H23Cl2NO3c152720(26)1711(2)2415921(34)1016(25)19(15)18(17)126713(22)14(23)812h681824H5910H214H3
MFCD00367626
ZINC000019315222
ZINC000019315225
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