Vitas-M small molecule compound
methyl 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
STL176510
SMILES COC(=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 C30H34ClNO4 MW 508.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34ClNO4/c1-16-12-17(2)25(18(3)22(16)15-36-21-10-8-20(31)9-11-21)28-26(29(34)35-7)19(4)32-23-13-30(5,6)14-24(33)27(23)28/h8-12,28,32H,13-15H2,1-7H3InChIKey
XYWFPSHBLWITFR-UHFFFAOYSA-NSynonyms
678158-57-1678158571
CC1=CC(=C(C(=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C)C)COC4=CC=C(C=C4)Cl)C
InChI=1SC30H34ClNO4c1161217(2)25(18(3)22(16)15362110820(31)91121)2826(29(34)357)19(4)32231330(56)1424(33)27(23)28h8122832H1315H217H3
methyl4(3((4chlorophenoxy)methyl)246trimethylphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3((4chlorophenoxy)methyl)246trimethylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD03883551
ZINC000013916056
ZINC000013916058
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