Vitas-M small molecule compound
N-(4-bromo-2,6-dimethylphenyl)-2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK139622
SMILES O=C(Nc1c(C)cc(cc1C)Br)CSc1nnc(n1C)c1cc2c(o1)ccc(c2)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 C21H18BrClN4O2S MW 505.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrClN4O2S/c1-11-6-14(22)7-12(2)19(11)24-18(28)10-30-21-26-25-20(27(21)3)17-9-13-8-15(23)4-5-16(13)29-17/h4-9H,10H2,1-3H3,(H,24,28)InChIKey
SYVBWYOLJJBXTR-UHFFFAOYSA-NSynonyms
CC1=CC(=CC(=C1NC(=O)CSC2=NN=C(N2C)C3=CC4=C(O3)C=CC(=C4)Cl)C)Br
InChI=1SC21H18BrClN4O2Sc111614(22)712(2)19(11)2418(28)103021262520(27(21)3)17913815(23)4516(13)2917h49H10H213H3(H2428)
MFCD04389848
N(4BROMO26DIMETHYLPHENYL)2((5(5CHLORO1BENZOFURAN2YL)4METHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4BROMO26DIMETHYLPHENYL)2((5(5CHLORO1BENZOFURAN2YL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000002861943
ZINC02861943
ZINC2861943
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