Vitas-M small molecule compound
N-(2-bromo-4,5-dimethylphenyl)-2-(4-{(E)-[3-(3,4-dimethylphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)acetamide
Catalog ID
STL419218
SMILES COc1cc(ccc1OCC(=O)Nc1cc(C)c(cc1Br)C)/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 C29H27BrN2O4S2 MW 611.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27BrN2O4S2/c1-16-6-8-21(10-17(16)2)32-28(34)26(38-29(32)37)14-20-7-9-24(25(13-20)35-5)36-15-27(33)31-23-12-19(4)18(3)11-22(23)30/h6-14H,15H2,1-5H3,(H,31,33)/b26-14+InChIKey
TWVJTWCRVDQRON-VULFUBBASA-NSynonyms
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)NC4=C(C=C(C(=C4)C)C)Br)OC)SC2=S)C
COc1cc(ccc1OCC(=O)Nc1cc(C)c(cc1Br)C)C=C1SC(=S)N(C1=O)c1ccc(c(c1)C)C
InChI=1SC29H27BrN2O4S2c1166821(1017(16)2)3228(34)26(3829(32)37)14207924(25(1320)355)361527(33)31231219(4)18(3)1122(23)30h614H15H215H3(H3133)b2614+
MFCD03614461
N(2BROMO45DIMETHYLPHENYL)2(4((E)(3(34DIMETHYLPHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENOXY)ACETAMIDE
N(2bromo45dimethylphenyl)2(4((E)(3(34dimethylphenyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenoxy)acetamide
ZINC000100339681
ZINC100339681
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