Vitas-M small molecule compound
6-methyl 3-propan-2-yl 4-(4-ethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK405026
SMILES CCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)C(C(C2)C)C(=O)OC)C(=O)OC(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 C25H31NO6 MW 441.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO6/c1-7-31-17-10-8-16(9-11-17)21-20(25(29)32-13(2)3)15(5)26-18-12-14(4)19(24(28)30-6)23(27)22(18)21/h8-11,13-14,19,21,26H,7,12H2,1-6H3InChIKey
LNPSSBMPBPXQBP-UHFFFAOYSA-NSynonyms
6methyl3propan2yl4(4ethoxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
6Omethyl3Opropan2yl4(4ethoxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOC1=CC=C(C=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OC(C)C)C
InChI=1SC25H31NO6c17311710816(91117)2120(25(29)3213(2)3)15(5)26181214(4)19(24(28)306)23(27)22(18)21h8111314192126H712H216H3
MFCD06194096
ZINC000004786948
ZINC000102559008
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