Vitas-M small molecule compound
3-(2-methoxyethyl) 6-methyl 4-(2-butoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404849
SMILES CCCCOc1ccccc1C1C(=C(C)NC2=C1C(=O)C(C(C2)C)C(=O)OC)C(=O)OCCOC
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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 C27H35NO7 MW 485.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35NO7/c1-6-7-12-34-20-11-9-8-10-18(20)23-22(27(31)35-14-13-32-4)17(3)28-19-15-16(2)21(26(30)33-5)25(29)24(19)23/h8-11,16,21,23,28H,6-7,12-15H2,1-5H3InChIKey
JOAPYTHYJLHCID-UHFFFAOYSA-NSynonyms
3(2methoxyethyl)6methyl4(2butoxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3O(2methoxyethyl)6Omethyl4(2butoxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCCCOC1=CC=CC=C1C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OCCOC)C
InChI=1SC27H35NO7c16712342011981018(20)2322(27(31)351413324)17(3)28191516(2)21(26(30)335)25(29)24(19)23h81116212328H671215H215H3
MFCD06194013
ZINC000004764876
ZINC000102009449
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