Vitas-M small molecule compound
diethyl 2-amino-7-(3-methoxyphenyl)-5-oxo-4-(pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK682697
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(c1cccnc1)C(=C(N2c1cccc(c1)C(F)(F)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 C34H32F3N3O6 MW 635.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32F3N3O6/c1-4-45-32(42)27-24(19-9-6-13-23(15-19)44-3)17-25-28(30(27)41)26(20-10-8-14-39-18-20)29(33(43)46-5-2)31(38)40(25)22-12-7-11-21(16-22)34(35,36)37/h6-16,18,24,26-27H,4-5,17,38H2,1-3H3InChIKey
CHVVQGHEFPJINB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C(=O)OCC)C4=CN=CC=C4)C5=CC(=CC=C5)OC
diethyl2amino7(3methoxyphenyl)5oxo4(pyridin3yl)1(3(trifluoromethyl)phenyl)145678hexahydroquinoline36dicarboxylate
diethyl2amino7(3methoxyphenyl)5oxo4pyridin3yl1(3(trifluoromethyl)phenyl)4678tetrahydroquinoline36dicarboxylate
InChI=1SC34H32F3N3O6c144532(42)2724(19961323(1519)443)172528(30(27)41)26(2010814391820)29(33(43)4652)31(38)40(25)221271121(1622)34(3536)37h61618242627H451738H213H3
MFCD04060506
ZINC000150384185
ZINC000150662527
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