Vitas-M small molecule compound
N-(4-bromo-3-methylphenyl)-2-({5-[(2,6-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK116565
SMILES O=C(Nc1ccc(c(c1)C)Br)CSc1nnc(n1C)COc1c(C)cccc1C
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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 C21H23BrN4O2S MW 475.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN4O2S/c1-13-6-5-7-14(2)20(13)28-11-18-24-25-21(26(18)4)29-12-19(27)23-16-8-9-17(22)15(3)10-16/h5-10H,11-12H2,1-4H3,(H,23,27)InChIKey
PMSIOVDONOAGPZ-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C)SCC(=O)NC3=CC(=C(C=C3)Br)C
InChI=1SC21H23BrN4O2Sc11365714(2)20(13)281118242521(26(18)4)291219(27)23168917(22)15(3)1016h510H1112H214H3(H2327)
MFCD04128428
N(4BROMO3METHYLPHENYL)2((5((26DIMETHYLPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4BROMO3METHYLPHENYL)2((5((26DIMETHYLPHENOXY)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000001127697
ZINC01127697
ZINC1127697
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