Vitas-M small molecule compound
(5Z)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione
Catalog ID
STL296765
SMILES COc1cc(/C=C/2\SC(=O)N(C2=O)CCCc2ccccc2)cc(c1O)[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 C20H18N2O6S MW 414.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O6S/c1-28-16-11-14(10-15(18(16)23)22(26)27)12-17-19(24)21(20(25)29-17)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,23H,5,8-9H2,1H3/b17-12-InChIKey
MSLKKNDENLLYNJ-ATVHPVEESA-NSynonyms
(5Z)5((4HYDROXY3METHOXY5NITROPHENYL)METHYLIDENE)3(3PHENYLPROPYL)13THIAZOLIDINE24DIONE
(5Z)5(4hydroxy3methoxy5nitrobenzylidene)3(3phenylpropyl)13thiazolidine24dione
COC1=CC(=CC(=C1O)(N+)(=O)(O))C=C2C(=O)N(C(=O)S2)CCCC3=CC=CC=C3
COc1cc(C=C2SC(=O)N(C2=O)CCCc2ccccc2)cc(c1O)(N+)(=O)(O)
InChI=1SC20H18N2O6Sc128161114(1015(18(16)23)22(26)27)121719(24)21(20(25)2917)958136324713h2467101223H589H21H3b1712
MFCD03715719
ZINC000015011007
ZINC15011007
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