Vitas-M small molecule compound
diethyl 2-amino-1-(2-fluorophenyl)-5-oxo-7-phenyl-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK683772
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1ccccc1)N(C(=C(C2c1cccnc1)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 C32H30FN3O5 MW 555.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30FN3O5/c1-3-40-31(38)26-21(19-11-6-5-7-12-19)17-24-27(29(26)37)25(20-13-10-16-35-18-20)28(32(39)41-4-2)30(34)36(24)23-15-9-8-14-22(23)33/h5-16,18,21,25-26H,3-4,17,34H2,1-2H3InChIKey
PJPLXPMSFFGWMV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC=CC=C3F)N)C(=O)OCC)C4=CN=CC=C4)C5=CC=CC=C5
diethyl2amino1(2fluorophenyl)5oxo7phenyl4(pyridin3yl)145678hexahydroquinoline36dicarboxylate
diethyl2amino1(2fluorophenyl)5oxo7phenyl4pyridin3yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC32H30FN3O5c134031(38)2621(19116571219)172427(29(26)37)25(20131016351820)28(32(39)4142)30(34)36(24)2315981422(23)33h51618212526H341734H212H3
MFCD05258716
ZINC000100161073
ZINC000103011926
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