Vitas-M small molecule compound
diethyl 2-amino-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK684941
SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cccnc1)C(=O)C(C(=O)OCC)C(C2)c1cccs1)c1cc(ccc1C)[N+](=O)[O-]
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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 C31H30N4O7S MW 602.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O7S/c1-4-41-30(37)25-20(23-9-7-13-43-23)15-22-26(28(25)36)24(18-8-6-12-33-16-18)27(31(38)42-5-2)29(32)34(22)21-14-19(35(39)40)11-10-17(21)3/h6-14,16,20,24-25H,4-5,15,32H2,1-3H3InChIKey
KMDBGTVUTBBXCC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N)N(C2=C(C1c1cccnc1)C(=O)C(C(=O)OCC)C(C2)c1cccs1)c1cc(ccc1C)(N+)(=O)(O)
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=C(C=CC(=C3)(N+)(=O)(O))C)N)C(=O)OCC)C4=CN=CC=C4)C5=CC=CS5
diethyl2amino1(2methyl5nitrophenyl)5oxo4(pyridin3yl)7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl2amino1(2methyl5nitrophenyl)5oxo4pyridin3yl7thiophen2yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC31H30N4O7Sc144130(37)2520(2397134323)152226(28(25)36)24(188612331618)27(31(38)4252)29(32)34(22)211419(35(39)40)111017(21)3h61416202425H451532H213H3
MFCD05856608
ZINC000100173570
ZINC000230034337
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