Vitas-M small molecule compound
N-({5-[(4-bromobenzyl)sulfanyl]-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide
Catalog ID
STK251286
SMILES Brc1ccc(cc1)CSc1nnc(n1CC(C)C)CNC(=O)c1ccccc1F
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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 C21H22BrFN4OS MW 477.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrFN4OS/c1-14(2)12-27-19(11-24-20(28)17-5-3-4-6-18(17)23)25-26-21(27)29-13-15-7-9-16(22)10-8-15/h3-10,14H,11-13H2,1-2H3,(H,24,28)InChIKey
XNLLWSZSDUCLKC-UHFFFAOYSA-NSynonyms
CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)C3=CC=CC=C3F
InChI=1SC21H22BrFN4OSc114(2)122719(112420(28)17534618(17)23)252621(27)2913157916(22)10815h31014H1113H212H3(H2428)
MFCD08670445
N((5((4BROMOBENZYL)SULFANYL)4(2METHYLPROPYL)4H124TRIAZOL3YL)METHYL)2FLUOROBENZAMIDE
N((5((4bromophenyl)methylsulfanyl)4(2methylpropyl)124triazol3yl)methyl)2fluorobenzamide
N(5(4BROMOBENZYLSULFANYL)4ISOBUTYL4H(124)TRIAZOL3YLMETHYL)2FLUOROBENZAMIDE
ZINC000009699122
ZINC09699122
ZINC9699122
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