Vitas-M small molecule compound

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

Catalog ID
STK684731
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(c1cccc(c1)F)C(=C(C2c1cccnc1)C(=O)OCC)N

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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 C30H28FN3O5S MW 561.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28FN3O5S/c1-3-38-29(36)24-20(22-11-7-13-40-22)15-21-25(27(24)35)23(17-8-6-12-33-16-17)26(30(37)39-4-2)28(32)34(21)19-10-5-9-18(31)14-19/h5-14,16,20,23-24H,3-4,15,32H2,1-2H3
InChIKey
YIVMRIZADFHHHX-UHFFFAOYSA-N
Synonyms
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC(=CC=C3)F)N)C(=O)OCC)C4=CN=CC=C4)C5=CC=CS5
diethyl2amino1(3fluorophenyl)5oxo4(pyridin3yl)7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl2amino1(3fluorophenyl)5oxo4pyridin3yl7thiophen2yl4678tetrahydroquinoline36dicarboxylate
Registry IDs
MFCD05855896
ZINC000001426958
ZINC000103015037

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Available files

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