Vitas-M small molecule compound

ethyl 4-(3,4-difluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK067924
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)F)F)C(=O)CC(C2)(C)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 C21H23F2NO3 MW 375.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23F2NO3/c1-5-27-20(26)17-11(2)24-15-9-21(3,4)10-16(25)19(15)18(17)12-6-7-13(22)14(23)8-12/h6-8,18,24H,5,9-10H2,1-4H3
InChIKey
HPTVFBGNPQNWPX-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)F)F)C(=O)CC(C2)(C)C
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)F)F)C(=O)CC(C2)(C)C)C
ethyl4(34difluorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(34difluorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC21H23F2NO3c152720(26)1711(2)2415921(34)1016(25)19(15)18(17)126713(22)14(23)812h681824H5910H214H3
MFCD02188166
STK067924
ZINC000019972774
ZINC000019972775

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Available files

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