Vitas-M small molecule compound
3-butan-2-yl 6-methyl 2,7-dimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK405012
SMILES CCCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)C(C(C2)C)C(=O)OC)C(=O)OC(CC)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 C27H35NO6 MW 469.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35NO6/c1-7-13-33-19-11-9-18(10-12-19)23-22(27(31)34-16(4)8-2)17(5)28-20-14-15(3)21(26(30)32-6)25(29)24(20)23/h9-12,15-16,21,23,28H,7-8,13-14H2,1-6H3InChIKey
OHUIPELXQNKFEU-UHFFFAOYSA-NSynonyms
3butan2yl6methyl27dimethyl5oxo4(4propoxyphenyl)145678hexahydroquinoline36dicarboxylate
3Obutan2yl6Omethyl27dimethyl5oxo4(4propoxyphenyl)4678tetrahydro1Hquinoline36dicarboxylate
CCCOC1=CC=C(C=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OC(C)CC)C
InChI=1SC27H35NO6c1713331911918(101219)2322(27(31)3416(4)82)17(5)28201415(3)21(26(30)326)25(29)24(20)23h9121516212328H781314H216H3
MFCD06194086
ZINC000012320234
ZINC000229940537
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