Vitas-M small molecule compound
2-methoxyethyl 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402358
SMILES COCCOC(=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 C22H25Cl2NO4 MW 438.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25Cl2NO4/c1-12-17(21(27)29-9-8-28-4)18(13-6-5-7-14(23)20(13)24)19-15(25-12)10-22(2,3)11-16(19)26/h5-7,18,25H,8-11H2,1-4H3InChIKey
DCEFAZUNPCNEBW-UHFFFAOYSA-NSynonyms
2methoxyethyl4(23dichlorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl4(23dichlorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C(=CC=C3)Cl)Cl)C(=O)OCCOC
InChI=1SC22H25Cl2NO4c11217(21(27)2998284)18(1365714(23)20(13)24)1915(2512)1022(23)1116(19)26h571825H811H214H3
MFCD00752987
ZINC000002775426
ZINC000002775427
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