Vitas-M small molecule compound
3-cycloheptyl 6-methyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404977
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(C(=C(N2)C)C(=O)OC1CCCCCC1)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 C28H35NO5 MW 465.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35NO5/c1-16-11-9-10-14-20(16)24-23(28(32)34-19-12-7-5-6-8-13-19)18(3)29-21-15-17(2)22(27(31)33-4)26(30)25(21)24/h9-11,14,17,19,22,24,29H,5-8,12-13,15H2,1-4H3InChIKey
WXDJXEXZWGNSJB-UHFFFAOYSA-NSynonyms
3cycloheptyl6methyl27dimethyl4(2methylphenyl)5oxo145678hexahydroquinoline36dicarboxylate
3Ocycloheptyl6Omethyl27dimethyl4(2methylphenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCCCC3)C4=CC=CC=C4C)C(=O)C1C(=O)OC
InChI=1SC28H35NO5c116119101420(16)2423(28(32)34191275681319)18(3)29211517(2)22(27(31)334)26(30)25(21)24h911141719222429H58121315H214H3
MFCD05998850
ZINC000004762628
ZINC000004762645
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