Vitas-M small molecule compound
4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenyl 4-nitrobenzoate
Catalog ID
STL365334
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)Cc1ccccc1
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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 C26H20N2O6S2 MW 520.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O6S2/c1-2-33-22-14-18(8-13-21(22)34-25(30)19-9-11-20(12-10-19)28(31)32)15-23-24(29)27(26(35)36-23)16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3/b23-15+InChIKey
VGKIVWDFAYNXCS-HZHRSRAPSA-NSynonyms
(4((E)(3benzyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)2ethoxyphenyl)4nitrobenzoate
2ETHOXY4((4OXO3BENZYL2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)PHENYL4NITROBENZOATE
4((E)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)2ethoxyphenyl4nitrobenzoate
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
CCOc1cc(ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O))C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC26H20N2O6S2c1233221418(81321(22)3425(30)1991120(121019)28(31)32)152324(29)27(26(35)3623)16176435717h315H216H21H3b2315+
MFCD01207149
ZINC000100935961
ZINC100935961
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