Vitas-M small molecule compound
4-{(E)-[3-(3,4-dimethylphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl benzenesulfonate
Catalog ID
STL416526
SMILES COc1cc(ccc1OS(=O)(=O)c1ccccc1)/C=C\1/SC(=S)N(C1=O)c1ccc(c(c1)C)C
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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/c1-16-9-11-19(13-17(16)2)26-24(27)23(33-25(26)32)15-18-10-12-21(22(14-18)30-3)31-34(28,29)20-7-5-4-6-8-20/h4-15H,1-3H3/b23-15+InChIKey
UNYCIORYPSHGMP-HZHRSRAPSA-NSynonyms
(4((E)(3(34DIMETHYLPHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENYL)BENZENESULFONATE
4((E)(3(34dimethylphenyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenylbenzenesulfonate
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)OC)SC2=S)C
COc1cc(ccc1OS(=O)(=O)c1ccccc1)C=C1SC(=S)N(C1=O)c1ccc(c(c1)C)C
InChI=1SC25H21NO5S3c11691119(1317(16)2)2624(27)23(3325(26)32)1518101221(22(1418)303)3134(2829)207546820h415H13H3b2315+
MFCD03905709
ZINC000009233040
ZINC09233040
ZINC9233040
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