Vitas-M small molecule compound
ethyl 4-{3-[(4-chloro-2-methylphenoxy)methyl]-2,5-dimethylphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL176463
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(C)cc(c1C)COc1ccc(cc1C)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 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)23-12-17(2)11-21(19(23)4)16-37-26-10-9-22(32)13-18(26)3/h9-13,28,33H,8,14-16H2,1-7H3InChIKey
GIJPFVUGBOSJAU-UHFFFAOYSA-NSynonyms
676642-68-5676642685
CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC(=C3C)COC4=C(C=C(C=C4)Cl)C)C)C(=O)CC(C2)(C)C)C
ethyl4(3((4chloro2methylphenoxy)methyl)25dimethylphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3((4chloro2methylphenoxy)methyl)25dimethylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC31H36ClNO4c183630(35)2720(5)33241431(67)1525(34)29(24)28(27)231217(2)1121(19(23)4)16372610922(32)1318(26)3h9132833H81416H217H3
MFCD03883559
ZINC000002747796
ZINC000002747797
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