Vitas-M small molecule compound
N-(4-bromo-2,3-dimethylphenyl)-2-{2-methoxy-4-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetamide
Catalog ID
STL428740
SMILES COc1cc(ccc1OCC(=O)Nc1ccc(c(c1C)C)Br)/C=C/1\SC(=S)N(C1=O)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 C22H21BrN2O4S2 MW 521.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O4S2/c1-12-13(2)16(7-6-15(12)23)24-20(26)11-29-17-8-5-14(9-18(17)28-4)10-19-21(27)25(3)22(30)31-19/h5-10H,11H2,1-4H3,(H,24,26)/b19-10-InChIKey
LKZJGFRBMHWSSG-GRSHGNNSSA-NSynonyms
CC1=C(C=CC(=C1C)Br)NC(=O)COC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)C)OC
COc1cc(ccc1OCC(=O)Nc1ccc(c(c1C)C)Br)C=C1SC(=S)N(C1=O)C
InChI=1SC22H21BrN2O4S2c11213(2)16(7615(12)23)2420(26)1129178514(918(17)284)101921(27)25(3)22(30)3119h510H11H214H3(H2426)b1910
MFCD30710662
N(4bromo23dimethylphenyl)2(2methoxy4((Z)(3methyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenoxy)acetamide
N(4bromo23dimethylphenyl)2(2methoxy4((Z)(3methyl4oxo2thioxo13thiazolidin5ylidene)methyl)phenoxy)acetamide
ZINC000207098244
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