Vitas-M small molecule compound
diethyl 2-amino-4-(2-fluorophenyl)-1-(2-methyl-5-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK685215
SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1ccccc1F)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 C32H30FN3O7S MW 619.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30FN3O7S/c1-4-42-31(38)26-20(24-11-8-14-44-24)16-23-27(29(26)37)25(19-9-6-7-10-21(19)33)28(32(39)43-5-2)30(34)35(23)22-15-18(36(40)41)13-12-17(22)3/h6-15,20,25-26H,4-5,16,34H2,1-3H3InChIKey
WLPDTSDGFIQIHW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N)N(C2=C(C1c1ccccc1F)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=CC=CC=C4F)C5=CC=CS5
diethyl2amino4(2fluorophenyl)1(2methyl5nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl2amino4(2fluorophenyl)1(2methyl5nitrophenyl)5oxo7thiophen2yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC32H30FN3O7Sc144231(38)2620(24118144424)162327(29(26)37)25(199671021(19)33)28(32(39)4352)30(34)35(23)221518(36(40)41)131217(22)3h615202526H451634H213H3
MFCD05857906
ZINC000100177199
ZINC000230036126
Check stock
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