Vitas-M small molecule compound
6-methyl 3-propyl 2,7-dimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404978
SMILES CCCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)C(C(C2)C)C(=O)OC)C(=O)OCCC
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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 C26H33NO6 MW 455.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO6/c1-6-12-32-18-10-8-17(9-11-18)22-21(26(30)33-13-7-2)16(4)27-19-14-15(3)20(25(29)31-5)24(28)23(19)22/h8-11,15,20,22,27H,6-7,12-14H2,1-5H3InChIKey
XHSOHPQCNWZRKZ-UHFFFAOYSA-NSynonyms
6methyl3propyl27dimethyl5oxo4(4propoxyphenyl)145678hexahydroquinoline36dicarboxylate
6Omethyl3Opropyl27dimethyl5oxo4(4propoxyphenyl)4678tetrahydro1Hquinoline36dicarboxylate
CCCOC1=CC=C(C=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OCCC)C
InChI=1SC26H33NO6c1612321810817(91118)2221(26(30)331372)16(4)27191415(3)20(25(29)315)24(28)23(19)22h81115202227H671214H215H3
MFCD06194064
ZINC000012319987
ZINC000102559434
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