Vitas-M small molecule compound
diethyl 2-amino-1-(2-fluorophenyl)-4-(3-fluorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK683403
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1ccccc1)N(C(=C(C2c1cccc(c1)F)C(=O)OCC)N)c1ccccc1F
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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 C33H30F2N2O5 MW 572.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30F2N2O5/c1-3-41-32(39)27-22(19-11-6-5-7-12-19)18-25-28(30(27)38)26(20-13-10-14-21(34)17-20)29(33(40)42-4-2)31(36)37(25)24-16-9-8-15-23(24)35/h5-17,22,26-27H,3-4,18,36H2,1-2H3InChIKey
SIRRCHJVJOBQIB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC=CC=C3F)N)C(=O)OCC)C4=CC(=CC=C4)F)C5=CC=CC=C5
diethyl2amino1(2fluorophenyl)4(3fluorophenyl)5oxo7phenyl145678hexahydroquinoline36dicarboxylate
diethyl2amino1(2fluorophenyl)4(3fluorophenyl)5oxo7phenyl4678tetrahydroquinoline36dicarboxylate
InChI=1SC33H30F2N2O5c134132(39)2722(19116571219)182528(30(27)38)26(2013101421(34)1720)29(33(40)4242)31(36)37(25)2416981523(24)35h517222627H341836H212H3
MFCD05257731
ZINC000100157967
ZINC000103010557
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