Vitas-M small molecule compound

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

Catalog ID
STK403152
SMILES Fc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCc1ccccc1

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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 C28H24FNO3S MW 473.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24FNO3S/c1-17-25(28(32)33-16-18-6-3-2-4-7-18)26(19-9-11-21(29)12-10-19)27-22(30-17)14-20(15-23(27)31)24-8-5-13-34-24/h2-13,20,26,30H,14-16H2,1H3
InChIKey
YCVQUWNUZAKVLP-UHFFFAOYSA-N
Synonyms

benzyl4(4fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
benzyl4(4fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)F)C(=O)OCC5=CC=CC=C5
InChI=1SC28H24FNO3Sc11725(28(32)3316186324718)26(1991121(29)121019)2722(3017)1420(1523(27)31)2485133424h213202630H1416H21H3
MFCD03371112
ZINC000000781685
ZINC000000781688

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Available files

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