Vitas-M small molecule compound
N-(3-bromo-4-chlorophenyl)-2-{(5E)-5-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetamide
Catalog ID
STL364620
SMILES O=C(CN1C(=O)S/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)/C1=O)Nc1ccc(c(c1)Br)Cl
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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 C21H16BrClN4O4S MW 535.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrClN4O4S/c1-25-15-6-3-11(7-16(15)26(2)20(25)30)8-17-19(29)27(21(31)32-17)10-18(28)24-12-4-5-14(23)13(22)9-12/h3-9H,10H2,1-2H3,(H,24,28)/b17-8+InChIKey
VLVALCYCTPWLAQ-CAOOACKPSA-NSynonyms
CN1C2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CC(=O)NC4=CC(=C(C=C4)Cl)Br)N(C1=O)C
InChI=1SC21H16BrClN4O4Sc125156311(716(15)26(2)20(25)30)81719(29)27(21(31)3217)1018(28)24124514(23)13(22)912h39H10H212H3(H2428)b178+
MFCD09475939
N(3bromo4chlorophenyl)2((5E)5((13dimethyl2oxo23dihydro1Hbenzimidazol5yl)methylidene)24dioxo13thiazolidin3yl)acetamide
N(3bromo4chlorophenyl)2((5E)5((13dimethyl2oxobenzimidazol5yl)methylidene)24dioxo13thiazolidin3yl)acetamide
O=C(CN1C(=O)SC(=Cc2ccc3c(c2)n(C)c(=O)n3C)C1=O)Nc1ccc(c(c1)Br)Cl
ZINC000101099364
ZINC101099364
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