Vitas-M small molecule compound
(5E)-3-benzyl-5-[(8-hydroxy-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK651308
SMILES S=C1S/C(=C/c2cc3CCCN4c3c(c2O)CCC4)/C(=O)N1Cc1ccccc1
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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 C23H22N2O2S2 MW 422.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O2S2/c26-21-17(12-16-8-4-10-24-11-5-9-18(21)20(16)24)13-19-22(27)25(23(28)29-19)14-15-6-2-1-3-7-15/h1-3,6-7,12-13,26H,4-5,8-11,14H2/b19-13+InChIKey
HQBWGHPWXOELEN-CPNJWEJPSA-NSynonyms
951979-01-4(5E)3benzyl5((8hydroxy2367tetrahydro1H5Hpyrido(321ij)quinolin9yl)methylidene)2thioxo13thiazolidin4one
(E)3benzyl5((8hydroxy123567hexahydropyrido(321ij)quinolin9yl)methylene)2thioxothiazolidin4one
951979014
C1CC2=C3C(=C(C(=C2)C=C4C(=O)N(C(=S)S4)CC5=CC=CC=C5)O)CCCN3C1
InChI=1SC23H22N2O2S2c262117(1216841024115918(21)20(16)24)131922(27)25(23(28)2919)14156213715h1367121326H4581114H2b1913+
MFCD09858923
S=C1SC(=Cc2cc3CCCN4c3c(c2O)CCC4)C(=O)N1Cc1ccccc1
ZINC000013735962
ZINC13735962
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