Vitas-M small molecule compound

cycloheptyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

Catalog ID
STK406730
SMILES O=C1NC(=C(C(C1)c1c(F)cccc1Cl)C(=O)OC1CCCCCC1)C

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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 C20H23ClFNO3 MW 379.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClFNO3/c1-12-18(20(25)26-13-7-4-2-3-5-8-13)14(11-17(24)23-12)19-15(21)9-6-10-16(19)22/h6,9-10,13-14H,2-5,7-8,11H2,1H3,(H,23,24)
InChIKey
IMWCINLLQPFMFA-UHFFFAOYSA-N
Synonyms

CC1=C(C(CC(=O)N1)C2=C(C=CC=C2Cl)F)C(=O)OC3CCCCCC3
cycloheptyl4(2chloro6fluorophenyl)2methyl6oxo1456tetrahydropyridine3carboxylate
CYCLOHEPTYL4(2CHLORO6FLUOROPHENYL)2METHYL6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
cycloheptyl4(2chloro6fluorophenyl)6methyl2oxo34dihydro1Hpyridine5carboxylate
InChI=1SC20H23ClFNO3c11218(20(25)261374235813)14(1117(24)2312)1915(21)961016(19)22h69101314H257811H21H3(H2324)
MFCD07613319
ZINC000004916876
ZINC000004916883

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.