Vitas-M small molecule compound
3-cycloheptyl 6-methyl 4-(3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404492
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1cccc(c1)F)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 C27H32FNO5 MW 469.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32FNO5/c1-15-13-20-24(25(30)21(15)26(31)33-3)23(17-9-8-10-18(28)14-17)22(16(2)29-20)27(32)34-19-11-6-4-5-7-12-19/h8-10,14-15,19,21,23,29H,4-7,11-13H2,1-3H3InChIKey
ZKHGGSHMHVVSED-UHFFFAOYSA-NSynonyms
3cycloheptyl6methyl4(3fluorophenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Ocycloheptyl6Omethyl4(3fluorophenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCCCC3)C4=CC(=CC=C4)F)C(=O)C1C(=O)OC
InChI=1SC27H32FNO5c115132024(25(30)21(15)26(31)333)23(17981018(28)1417)22(16(2)2920)27(32)34191164571219h810141519212329H471113H213H3
MFCD04220257
ZINC000016346094
ZINC000239439099
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