Vitas-M small molecule compound
3-cyclopentyl 6-methyl 4-(2-chloro-6-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404881
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(C(=C(N2)C)C(=O)OC1CCCC1)c1c(F)cccc1Cl
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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 C25H27ClFNO5 MW 475.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClFNO5/c1-12-11-17-21(23(29)18(12)24(30)32-3)22(20-15(26)9-6-10-16(20)27)19(13(2)28-17)25(31)33-14-7-4-5-8-14/h6,9-10,12,14,18,22,28H,4-5,7-8,11H2,1-3H3InChIKey
JXGOACCDDLZCBJ-UHFFFAOYSA-NSynonyms
3cyclopentyl6methyl4(2chloro6fluorophenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Ocyclopentyl6Omethyl4(2chloro6fluorophenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCC3)C4=C(C=CC=C4Cl)F)C(=O)C1C(=O)OC
InChI=1SC25H27ClFNO5c112111721(23(29)18(12)24(30)323)22(2015(26)961016(20)27)19(13(2)2817)25(31)3314745814h69101214182228H457811H213H3
MFCD05031596
ZINC000016383105
ZINC000101922414
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