Vitas-M small molecule compound
2-[(5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-bromo-2-(propan-2-yl)phenyl]acetamide
Catalog ID
STK197736
SMILES O=C(Nc1ccc(cc1C(C)C)Br)CSc1nnc([nH]1)Cc1ccccc1
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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 C20H21BrN4OS MW 445.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN4OS/c1-13(2)16-11-15(21)8-9-17(16)22-19(26)12-27-20-23-18(24-25-20)10-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,22,26)(H,23,24,25)InChIKey
XAMCFNZGBNLJFD-UHFFFAOYSA-NSynonyms
2((5BENZYL1H124TRIAZOL3YL)SULFANYL)N(4BROMO2PROPAN2YLPHENYL)ACETAMIDE
2((5BENZYL4H124TRIAZOL3YL)SULFANYL)N(4BROMO2(PROPAN2YL)PHENYL)ACETAMIDE
2(5BENZYL4H(124)TRIAZOL3YLSULFANYL)N(4BROMO2ISOPROPYLPHENYL)ACETAMIDE
CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NNC(=N2)CC3=CC=CC=C3
InChI=1SC20H21BrN4OSc113(2)161115(21)8917(16)2219(26)1227202318(242520)10146435714h391113H1012H212H3(H2226)(H232425)
MFCD06621473
O=C(Nc1ccc(cc1C(C)C)Br)CSc1nnc((nH)1)Cc1ccccc1
ZINC000006238775
ZINC06238775
ZINC6238775
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