Vitas-M small molecule compound
methyl 4-(3-bromo-2,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372265
SMILES COc1cc(Br)c(c(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC)OC
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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 C22H26BrNO5 MW 464.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26BrNO5/c1-11-17(21(26)29-6)18(13-7-12(27-4)8-14(23)20(13)28-5)19-15(24-11)9-22(2,3)10-16(19)25/h7-8,18,24H,9-10H2,1-6H3InChIKey
FRFVXVMZAFVLLP-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC(=C3OC)Br)OC)C(=O)OC
InChI=1SC22H26BrNO5c11117(21(26)296)18(13712(274)814(23)20(13)285)1915(2411)922(23)1016(19)25h781824H910H216H3
methyl4(3bromo25dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3bromo25dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD00770879
ZINC000003098401
ZINC000003098402
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