Vitas-M small molecule compound
(5Z)-5-(5-benzyl-2-hydroxy-3-nitrobenzylidene)-3-cyclohexyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL417592
SMILES S=C1S/C(=C\c2cc(Cc3ccccc3)cc(c2O)[N+](=O)[O-])/C(=O)N1C1CCCCC1
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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 C23H22N2O4S2 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O4S2/c26-21-17(12-16(13-19(21)25(28)29)11-15-7-3-1-4-8-15)14-20-22(27)24(23(30)31-20)18-9-5-2-6-10-18/h1,3-4,7-8,12-14,18,26H,2,5-6,9-11H2/b20-14-InChIKey
LRIFDGTWYDHMTN-ZHZULCJRSA-NSynonyms
(5Z)5((5benzyl2hydroxy3nitrophenyl)methylidene)3cyclohexyl2sulfanylidene13thiazolidin4one
(5Z)5(5benzyl2hydroxy3nitrobenzylidene)3cyclohexyl2thioxo13thiazolidin4one
C1CCC(CC1)N2C(=O)C(=CC3=CC(=CC(=C3O)(N+)(=O)(O))CC4=CC=CC=C4)SC2=S
InChI=1SC23H22N2O4S2c262117(1216(1319(21)25(28)29)11157314815)142022(27)24(23(30)3120)1895261018h1347812141826H256911H2b2014
MFCD30707160
S=C1SC(=Cc2cc(Cc3ccccc3)cc(c2O)(N+)(=O)(O))C(=O)N1C1CCCCC1
ZINC000083327551
ZINC83327551
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