Vitas-M small molecule compound
3-cyclopentyl 6-methyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404704
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(C(=C(N2)C)C(=O)OC1CCCC1)c1ccccc1C
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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 C26H31NO5 MW 437.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO5/c1-14-9-5-8-12-18(14)22-21(26(30)32-17-10-6-7-11-17)16(3)27-19-13-15(2)20(25(29)31-4)24(28)23(19)22/h5,8-9,12,15,17,20,22,27H,6-7,10-11,13H2,1-4H3InChIKey
KZQOYWLHGVKXBW-UHFFFAOYSA-NSynonyms
3cyclopentyl6methyl27dimethyl4(2methylphenyl)5oxo145678hexahydroquinoline36dicarboxylate
3Ocyclopentyl6Omethyl27dimethyl4(2methylphenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCC3)C4=CC=CC=C4C)C(=O)C1C(=O)OC
InChI=1SC26H31NO5c1149581218(14)2221(26(30)321710671117)16(3)27191315(2)20(25(29)314)24(28)23(19)22h589121517202227H67101113H214H3
MFCD05031597
ZINC000004767600
ZINC000004767607
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