Vitas-M small molecule compound

diethyl 2-amino-4-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK684895
SMILES CCOC(=O)C1=C(N)N(c2ccc(cc2)F)C2=C(C1c1cccc(c1)F)C(=O)C(C(C2)c1cccs1)C(=O)OCC

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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 C31H28F2N2O5S MW 578.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28F2N2O5S/c1-3-39-30(37)25-21(23-9-6-14-41-23)16-22-26(28(25)36)24(17-7-5-8-19(33)15-17)27(31(38)40-4-2)29(34)35(22)20-12-10-18(32)11-13-20/h5-15,21,24-25H,3-4,16,34H2,1-2H3
InChIKey
RRSHAESVOXJHLJ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC=C(C=C3)F)N)C(=O)OCC)C4=CC(=CC=C4)F)C5=CC=CS5
diethyl2amino4(3fluorophenyl)1(4fluorophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl2amino4(3fluorophenyl)1(4fluorophenyl)5oxo7thiophen2yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC31H28F2N2O5Sc133930(37)2521(2396144123)162226(28(25)36)24(1775819(33)1517)27(31(38)4042)29(34)35(22)20121018(32)111320h515212425H341634H212H3
MFCD05856465
ZINC000100173002
ZINC000230033938

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Available files

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