Vitas-M small molecule compound

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

Catalog ID
STK685129
SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cccc(c1)Cl)C(=O)C(C(=O)OCC)C(C2)c1cccs1)c1ccc(cc1F)F

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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 C31H27ClF2N2O5S MW 613.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27ClF2N2O5S/c1-3-40-30(38)25-19(23-9-6-12-42-23)15-22-26(28(25)37)24(16-7-5-8-17(32)13-16)27(31(39)41-4-2)29(35)36(22)21-11-10-18(33)14-20(21)34/h5-14,19,24-25H,3-4,15,35H2,1-2H3
InChIKey
ZIRGECIWPQAGCC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=C(C=C(C=C3)F)F)N)C(=O)OCC)C4=CC(=CC=C4)Cl)C5=CC=CS5
diethyl2amino4(3chlorophenyl)1(24difluorophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl2amino4(3chlorophenyl)1(24difluorophenyl)5oxo7thiophen2yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC31H27ClF2N2O5Sc134030(38)2519(2396124223)152226(28(25)37)24(1675817(32)1316)27(31(39)4142)29(35)36(22)21111018(33)1420(21)34h514192425H341535H212H3
MFCD05857560
ZINC000100176209
ZINC000230035795

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Available files

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