Vitas-M small molecule compound
ethyl 4-{3-[(4-chlorophenoxy)methyl]-2,4,6-trimethylphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL176456
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1c(C)cc(c(c1C)COc1ccc(cc1)Cl)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)28(24)29(27)26-18(3)13-17(2)23(19(26)4)16-37-22-11-9-21(32)10-12-22/h9-13,29,33H,8,14-16H2,1-7H3InChIKey
ZSKAKYKVAWXJBA-UHFFFAOYSA-NSynonyms
677327-97-8677327978
CCOC(=O)C1=C(NC2=C(C1C3=C(C(=C(C=C3C)C)COC4=CC=C(C=C4)Cl)C)C(=O)CC(C2)(C)C)C
ethyl4(3((4chlorophenoxy)methyl)246trimethylphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3((4chlorophenoxy)methyl)246trimethylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC31H36ClNO4c183630(35)2720(5)33241431(67)1525(34)28(24)29(27)2618(3)1317(2)23(19(26)4)16372211921(32)101222h9132933H81416H217H3
MFCD03883552
ZINC000002758714
ZINC000002758715
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