Vitas-M small molecule compound
2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-ethyl-6-methylphenyl)acetamide
Catalog ID
STL379403
SMILES CCc1cc(Br)cc(c1NC(=O)CSc1nnc(n1C)Cc1ccccc1)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 C21H23BrN4OS MW 459.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN4OS/c1-4-16-12-17(22)10-14(2)20(16)23-19(27)13-28-21-25-24-18(26(21)3)11-15-8-6-5-7-9-15/h5-10,12H,4,11,13H2,1-3H3,(H,23,27)InChIKey
HGMLNTVYMVEITP-UHFFFAOYSA-NSynonyms
2((5BENZYL4METHYL124TRIAZOL3YL)SULFANYL)N(4BROMO2ETHYL6METHYLPHENYL)ACETAMIDE
2((5benzyl4methyl4H124triazol3yl)sulfanyl)N(4bromo2ethyl6methylphenyl)acetamide
CCC1=C(C(=CC(=C1)Br)C)NC(=O)CSC2=NN=C(N2C)CC3=CC=CC=C3
InChI=1SC21H23BrN4OSc14161217(22)1014(2)20(16)2319(27)132821252418(26(21)3)11158657915h51012H41113H213H3(H2327)
MFCD03997586
ZINC000001104710
ZINC01104710
ZINC1104710
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