Vitas-M small molecule compound

methyl 6-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate

Catalog ID
STK399521
SMILES COC(=O)c1cc2c(nc1C)ccn(c2=O)c1ccc(c(c1)C(F)(F)F)Cl

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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 C18H12ClF3N2O3 MW 396.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClF3N2O3/c1-9-11(17(26)27-2)8-12-15(23-9)5-6-24(16(12)25)10-3-4-14(19)13(7-10)18(20,21)22/h3-8H,1-2H3
InChIKey
OEZSDBPATWGKPI-UHFFFAOYSA-N
Synonyms
1010887-14-5
1010887145
CC1=C(C=C2C(=N1)C=CN(C2=O)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)OC
InChI=1SC18H12ClF3N2O3c1911(17(26)272)81215(239)5624(16(12)25)103414(19)13(710)18(2021)22h38H12H3
methyl6(4chloro3(trifluoromethyl)phenyl)2methyl5oxo16naphthyridine3carboxylate
methyl6(4chloro3(trifluoromethyl)phenyl)2methyl5oxo56dihydro16naphthyridine3carboxylate
MFCD11083427
ZINC000012409667
ZINC12409667

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Available files

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