Vitas-M small molecule compound
3-benzyl 6-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404635
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc(o1)C)C(=C(N2)C)C(=O)OCc1ccccc1
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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 C26H27NO6 MW 449.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO6/c1-14-12-18-22(24(28)20(14)25(29)31-4)23(19-11-10-15(2)33-19)21(16(3)27-18)26(30)32-13-17-8-6-5-7-9-17/h5-11,14,20,23,27H,12-13H2,1-4H3InChIKey
KPOQPJDISKDIJW-UHFFFAOYSA-NSynonyms
3benzyl6methyl27dimethyl4(5methylfuran2yl)5oxo145678hexahydroquinoline36dicarboxylate
3Obenzyl6Omethyl27dimethyl4(5methylfuran2yl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC=C(O4)C)C(=O)C1C(=O)OC
InChI=1SC26H27NO6c114121822(24(28)20(14)25(29)314)23(19111015(2)3319)21(16(3)2718)26(30)3213178657917h51114202327H1213H214H3
MFCD05238810
ZINC000004762028
ZINC000004762042
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