Vitas-M small molecule compound
N-(2-bromo-4,5-dimethylphenyl)-2-(2-methoxy-4-{(E)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetamide
Catalog ID
STL373970
SMILES COc1cc(ccc1OCC(=O)Nc1cc(C)c(cc1Br)C)/C=C\1/SC(=S)N(C1=O)Cc1ccc(cc1)OC
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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 C29H27BrN2O5S2 MW 627.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27BrN2O5S2/c1-17-11-22(30)23(12-18(17)2)31-27(33)16-37-24-10-7-20(13-25(24)36-4)14-26-28(34)32(29(38)39-26)15-19-5-8-21(35-3)9-6-19/h5-14H,15-16H2,1-4H3,(H,31,33)/b26-14+InChIKey
LCDCTKFPWJWZFM-VULFUBBASA-NSynonyms
CC1=CC(=C(C=C1C)Br)NC(=O)COC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)OC)OC
COc1cc(ccc1OCC(=O)Nc1cc(C)c(cc1Br)C)C=C1SC(=S)N(C1=O)Cc1ccc(cc1)OC
InChI=1SC29H27BrN2O5S2c1171122(30)23(1218(17)2)3127(33)16372410720(1325(24)364)142628(34)32(29(38)3926)15195821(353)9619h514H1516H214H3(H3133)b2614+
MFCD09219061
N(2bromo45dimethylphenyl)2(2methoxy4((E)(3((4methoxyphenyl)methyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenoxy)acetamide
N(2bromo45dimethylphenyl)2(2methoxy4((E)(3(4methoxybenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenoxy)acetamide
ZINC000150391976
ZINC150391976
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