Vitas-M small molecule compound
diethyl 2-amino-1-(3-fluorophenyl)-7-(3-methoxyphenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK683771
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(c1cccnc1)C(=C(N2c1cccc(c1)F)N)C(=O)OCC)c1cccc(c1)OC
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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 C33H32FN3O6 MW 585.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32FN3O6/c1-4-42-32(39)27-24(19-9-6-13-23(15-19)41-3)17-25-28(30(27)38)26(20-10-8-14-36-18-20)29(33(40)43-5-2)31(35)37(25)22-12-7-11-21(34)16-22/h6-16,18,24,26-27H,4-5,17,35H2,1-3H3InChIKey
VAYXKSDLAIVAHM-UHFFFAOYSA-NSynonyms
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(=CC=C5)OC
diethyl2amino1(3fluorophenyl)7(3methoxyphenyl)5oxo4(pyridin3yl)145678hexahydroquinoline36dicarboxylate
diethyl2amino1(3fluorophenyl)7(3methoxyphenyl)5oxo4pyridin3yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC33H32FN3O6c144232(39)2724(19961323(1519)413)172528(30(27)38)26(2010814361820)29(33(40)4352)31(35)37(25)221271121(34)1622h61618242627H451735H213H3
MFCD05258715
ZINC000100161066
ZINC000103011909
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