Vitas-M small molecule compound
diethyl 2-amino-1-(4-fluorophenyl)-5-oxo-4-(pyridin-3-yl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK683595
SMILES CCOC(=O)C1=C(N)N(c2ccc(cc2)F)C2=C(C1c1cccnc1)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 C30H28FN3O5S MW 561.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28FN3O5S/c1-3-38-29(36)24-20(22-8-6-14-40-22)15-21-25(27(24)35)23(17-7-5-13-33-16-17)26(30(37)39-4-2)28(32)34(21)19-11-9-18(31)10-12-19/h5-14,16,20,23-24H,3-4,15,32H2,1-2H3InChIKey
MRJUBFYUXAOKTG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC=C(C=C3)F)N)C(=O)OCC)C4=CN=CC=C4)C5=CC=CS5
diethyl2amino1(4fluorophenyl)5oxo4(pyridin3yl)7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl2amino1(4fluorophenyl)5oxo4pyridin3yl7thiophen2yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC30H28FN3O5Sc133829(36)2420(2286144022)152125(27(24)35)23(177513331617)26(30(37)3942)28(32)34(21)1911918(31)101219h51416202324H341532H212H3
MFCD05258348
ZINC000100159685
ZINC000230026514
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