Vitas-M small molecule compound
diethyl 2-amino-1-(2-fluorophenyl)-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK684713
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(c1cccc(c1)[N+](=O)[O-])C(=C(N2c1ccccc1F)N)C(=O)OCC)c1cccs1
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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 C31H28FN3O7S MW 605.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28FN3O7S/c1-3-41-30(37)25-19(23-13-8-14-43-23)16-22-26(28(25)36)24(17-9-7-10-18(15-17)35(39)40)27(31(38)42-4-2)29(33)34(22)21-12-6-5-11-20(21)32/h5-15,19,24-25H,3-4,16,33H2,1-2H3InChIKey
GPVHZZXSRMWFEX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC=CC=C3F)N)C(=O)OCC)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=CS5
CCOC(=O)C1C(CC2=C(C1=O)C(c1cccc(c1)(N+)(=O)(O))C(=C(N2c1ccccc1F)N)C(=O)OCC)c1cccs1
diethyl2amino1(2fluorophenyl)4(3nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl2amino1(2fluorophenyl)4(3nitrophenyl)5oxo7thiophen2yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC31H28FN3O7Sc134130(37)2519(23138144323)162226(28(25)36)24(17971018(1517)35(39)40)27(31(38)4242)29(33)34(22)2112651120(21)32h515192425H341633H212H3
MFCD05855827
ZINC000100171907
ZINC000103014935
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