Vitas-M small molecule compound
4-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenyl 2-nitrobenzenesulfonate
Catalog ID
STK035987
SMILES CCOc1cc(ccc1OS(=O)(=O)c1ccccc1[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 C25H20N2O7S3 MW 556.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O7S3/c1-2-33-21-14-18(15-22-24(28)26(25(35)36-22)16-17-8-4-3-5-9-17)12-13-20(21)34-37(31,32)23-11-7-6-10-19(23)27(29)30/h3-15H,2,16H2,1H3/b22-15-InChIKey
HDNZYFHCABNGLA-JCMHNJIXSA-NSynonyms
(4((Z)(3BENZYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2ETHOXYPHENYL)2NITROBENZENESULFONATE
4((Z)(3BENZYL4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)2ETHOXYPHENYL2NITROBENZENESULFONATE
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4(N+)(=O)(O)
CCOc1cc(ccc1OS(=O)(=O)c1ccccc1(N+)(=O)(O))C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC25H20N2O7S3c1233211418(152224(28)26(25(35)3622)16178435917)121320(21)3437(3132)2311761019(23)27(29)30h315H216H21H3b2215
MFCD03227469
STK035987
ZINC000100229453
ZINC100229453
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