Vitas-M small molecule compound

2-methylpropyl 4-(2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK402736
SMILES CC(COC(=O)C1=C(C)NC2=C(C1c1ccccc1F)C(=O)CC(C2)c1cccs1)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 C25H26FNO3S MW 439.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26FNO3S/c1-14(2)13-30-25(29)22-15(3)27-19-11-16(21-9-6-10-31-21)12-20(28)24(19)23(22)17-7-4-5-8-18(17)26/h4-10,14,16,23,27H,11-13H2,1-3H3
InChIKey
NVSMXBWCDAZHLR-UHFFFAOYSA-N
Synonyms

2methylpropyl4(2fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2methylpropyl4(2fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=CC=C4F)C(=O)OCC(C)C
InChI=1SC25H26FNO3Sc114(2)133025(29)2215(3)27191116(2196103121)1220(28)24(19)23(22)17745818(17)26h41014162327H1113H213H3
MFCD02627329
ZINC000000717669
ZINC000000717672

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Available files

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