Vitas-M small molecule compound
N-(2-bromo-4,5-dimethylphenyl)-2-({5-[(3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STL122919
SMILES O=C(Nc1cc(C)c(cc1Br)C)CSc1nnc(n1C)COc1cc(C)cc(c1)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 C22H25BrN4O2S MW 489.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25BrN4O2S/c1-13-6-14(2)8-17(7-13)29-11-20-25-26-22(27(20)5)30-12-21(28)24-19-10-16(4)15(3)9-18(19)23/h6-10H,11-12H2,1-5H3,(H,24,28)InChIKey
INYJTKRFGVIZGC-UHFFFAOYSA-NSynonyms
CC1=CC(=CC(=C1)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C(=C3)C)C)Br)C
InChI=1SC22H25BrN4O2Sc113614(2)817(713)291120252622(27(20)5)301221(28)24191016(4)15(3)918(19)23h610H1112H215H3(H2428)
MFCD06627565
N(2BROMO45DIMETHYLPHENYL)2((5((35DIMETHYLPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2bromo45dimethylphenyl)2((5((35dimethylphenoxy)methyl)4methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000002879804
ZINC02879804
ZINC2879804
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