Vitas-M small molecule compound
ethyl 4-{5-[(4-chloro-2-methylphenoxy)methyl]-2,4-dimethylphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL175523
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(COc3ccc(cc3C)Cl)c(cc1C)C)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 C31H36ClNO4 MW 522.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36ClNO4/c1-8-36-30(35)27-20(5)33-24-14-31(6,7)15-25(34)29(24)28(27)23-13-21(17(2)11-18(23)3)16-37-26-10-9-22(32)12-19(26)4/h9-13,28,33H,8,14-16H2,1-7H3InChIKey
XAQNBLGXUKBVBG-UHFFFAOYSA-NSynonyms
438215-78-2438215782
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3C)C)COC4=C(C=C(C=C4)Cl)C)C(=O)CC(C2)(C)C)C
ethyl4(5((4chloro2methylphenoxy)methyl)24dimethylphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(5((4chloro2methylphenoxy)methyl)24dimethylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC31H36ClNO4c183630(35)2720(5)33241431(67)1525(34)29(24)28(27)231321(17(2)1118(23)3)16372610922(32)1219(26)4h9132833H81416H217H3
MFCD03074046
ZINC000002111052
ZINC000002111057
Check stock
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