Vitas-M small molecule compound
4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 4-methylbenzenesulfonate
Catalog ID
STL416932
SMILES COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)/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 C25H21NO5S3 MW 511.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO5S3/c1-17-8-11-20(12-9-17)34(28,29)31-21-13-10-19(14-22(21)30-2)15-23-24(27)26(25(32)33-23)16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3/b23-15+InChIKey
YFXWALWMUHUHKF-HZHRSRAPSA-NSynonyms
(4((E)(3benzyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)2methoxyphenyl)4methylbenzenesulfonate
2METHOXY4((4OXO3BENZYL2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)PHENYL4METHYLBENZENESULFONATE
4((E)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)OC
COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC25H21NO5S3c11781120(12917)34(2829)3121131019(1422(21)302)152324(27)26(25(32)3323)16186435718h315H16H212H3b2315+
MFCD02122011
ZINC000016310737
ZINC16310737
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