Vitas-M small molecule compound
3-ethyl 6-methyl 2,7-dimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407487
SMILES CCCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)C(C(C2)C)C(=O)OC)C(=O)OCC
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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 C25H31NO6 MW 441.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO6/c1-6-12-32-17-10-8-16(9-11-17)21-20(25(29)31-7-2)15(4)26-18-13-14(3)19(24(28)30-5)23(27)22(18)21/h8-11,14,19,21,26H,6-7,12-13H2,1-5H3InChIKey
DJXNIOUBZDVSAN-UHFFFAOYSA-NSynonyms
3ethyl6methyl27dimethyl5oxo4(4propoxyphenyl)145678hexahydroquinoline36dicarboxylate
3Oethyl6Omethyl27dimethyl5oxo4(4propoxyphenyl)4678tetrahydro1Hquinoline36dicarboxylate
CCCOC1=CC=C(C=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OCC)C
InChI=1SC25H31NO6c1612321710816(91117)2120(25(29)3172)15(4)26181314(3)19(24(28)305)23(27)22(18)21h81114192126H671213H215H3
MFCD04057136
ZINC000006162453
ZINC000101316144
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