Vitas-M small molecule compound
4-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate
Catalog ID
STK821709
SMILES S=C1S/C(=C\c2ccc(cc2)OC(=O)c2cccc(c2)[N+](=O)[O-])/C(=O)N1CCc1ccccc1
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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 C25H18N2O5S2 MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O5S2/c28-23-22(34-25(33)26(23)14-13-17-5-2-1-3-6-17)15-18-9-11-21(12-10-18)32-24(29)19-7-4-8-20(16-19)27(30)31/h1-12,15-16H,13-14H2/b22-15-InChIKey
SVKFEGJEFOJCBQ-JCMHNJIXSA-NSynonyms
(4((Z)(4oxo3(2phenylethyl)2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)3nitrobenzoate
4((Z)(4oxo3(2phenylethyl)2thioxo13thiazolidin5ylidene)methyl)phenyl3nitrobenzoate
C1=CC=C(C=C1)CCN2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O))SC2=S
InChI=1SC25H18N2O5S2c282322(3425(33)26(23)1413175213617)151891121(121018)3224(29)1974820(1619)27(30)31h1121516H1314H2b2215
MFCD03462961
S=C1SC(=Cc2ccc(cc2)OC(=O)c2cccc(c2)(N+)(=O)(O))C(=O)N1CCc1ccccc1
ZINC000026965684
ZINC26965684
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