Vitas-M small molecule compound
diethyl 2-amino-4-(3-chlorophenyl)-1-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK684886
SMILES CCOC(=O)C1=C(N)N(c2ccc(cc2)[N+](=O)[O-])C2=C(C1c1cccc(c1)Cl)C(=O)C(C(C2)c1cccs1)C(=O)OCC
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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 C31H28ClN3O7S MW 622.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O7S/c1-3-41-30(37)25-21(23-9-6-14-43-23)16-22-26(28(25)36)24(17-7-5-8-18(32)15-17)27(31(38)42-4-2)29(33)34(22)19-10-12-20(13-11-19)35(39)40/h5-15,21,24-25H,3-4,16,33H2,1-2H3InChIKey
SCIJCACZXIIDNH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N)N(c2ccc(cc2)(N+)(=O)(O))C2=C(C1c1cccc(c1)Cl)C(=O)C(C(C2)c1cccs1)C(=O)OCC
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC=C(C=C3)(N+)(=O)(O))N)C(=O)OCC)C4=CC(=CC=C4)Cl)C5=CC=CS5
diethyl2amino4(3chlorophenyl)1(4nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl2amino4(3chlorophenyl)1(4nitrophenyl)5oxo7thiophen2yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC31H28ClN3O7Sc134130(37)2521(2396144323)162226(28(25)36)24(1775818(32)1517)27(31(38)4242)29(33)34(22)19101220(131119)35(39)40h515212425H341633H212H3
MFCD05856456
ZINC000100172897
ZINC000230033854
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