Vitas-M small molecule compound
3-cycloheptyl 6-methyl 2,7-dimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404886
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc(cc1)C)C(=C(N2)C)C(=O)OC1CCCCCC1
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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/c1-16-11-13-19(14-12-16)24-23(28(32)34-20-9-7-5-6-8-10-20)18(3)29-21-15-17(2)22(27(31)33-4)26(30)25(21)24/h11-14,17,20,22,24,29H,5-10,15H2,1-4H3InChIKey
WWJIIHREWRSDRZ-UHFFFAOYSA-NSynonyms
3cycloheptyl6methyl27dimethyl4(4methylphenyl)5oxo145678hexahydroquinoline36dicarboxylate
3Ocycloheptyl6Omethyl27dimethyl4(4methylphenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCCCC3)C4=CC=C(C=C4)C)C(=O)C1C(=O)OC
InChI=1SC28H35NO5c116111319(141216)2423(28(32)3420975681020)18(3)29211517(2)22(27(31)334)26(30)25(21)24h11141720222429H51015H214H3
MFCD06194037
ZINC000004786665
ZINC000004786679
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