Vitas-M small molecule compound
ethyl 4-(3,4-dichlorophenyl)-2-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK366663
SMILES CCOC(=O)C1=C(CC)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 C22H25Cl2NO3 MW 422.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25Cl2NO3/c1-5-15-20(21(27)28-6-2)18(12-7-8-13(23)14(24)9-12)19-16(25-15)10-22(3,4)11-17(19)26/h7-9,18,25H,5-6,10-11H2,1-4H3InChIKey
ALYACXKDAYMDHI-UHFFFAOYSA-NSynonyms
CCC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)Cl)Cl)C(=O)OCC
ethyl4(34dichlorophenyl)2ethyl77dimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(34dichlorophenyl)2ethyl77dimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC22H25Cl2NO3c151520(21(27)2862)18(127813(23)14(24)912)1916(2515)1022(34)1117(19)26h791825H561011H214H3
MFCD00356431
ZINC000019201971
ZINC000019201976
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