Vitas-M small molecule compound
(5E)-3-cyclohexyl-5-[4-(2,4-dinitrophenoxy)-3-methoxybenzylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL428058
SMILES COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)C1CCCCC1
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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 C23H21N3O7S2 MW 515.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O7S2/c1-32-20-11-14(12-21-22(27)24(23(34)35-21)15-5-3-2-4-6-15)7-9-19(20)33-18-10-8-16(25(28)29)13-17(18)26(30)31/h7-13,15H,2-6H2,1H3/b21-12+InChIKey
QXQRQFCLPICWCI-CIAFOILYSA-NSynonyms
(5E)3cyclohexyl5((4(24dinitrophenoxy)3methoxyphenyl)methylidene)2sulfanylidene13thiazolidin4one
(5E)3cyclohexyl5(4(24dinitrophenoxy)3methoxybenzylidene)2thioxo13thiazolidin4one
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3CCCCC3)OC4=C(C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O)
COc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C=C1SC(=S)N(C1=O)C1CCCCC1
InChI=1SC23H21N3O7S2c132201114(122122(27)24(23(34)3521)155324615)7919(20)331810816(25(28)29)1317(18)26(30)31h71315H26H21H3b2112+
MFCD01963466
ZINC000009296524
ZINC09296524
ZINC9296524
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