Vitas-M small molecule compound
N-({5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-4-fluorobenzamide
Catalog ID
STL122244
SMILES O=C(Nc1ccc(cc1C(C)C)Br)CSc1nnc(n1C)CNC(=O)c1ccc(cc1)F
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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 C22H23BrFN5O2S MW 520.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrFN5O2S/c1-13(2)17-10-15(23)6-9-18(17)26-20(30)12-32-22-28-27-19(29(22)3)11-25-21(31)14-4-7-16(24)8-5-14/h4-10,13H,11-12H2,1-3H3,(H,25,31)(H,26,30)InChIKey
ADHCPZUEOFXNOC-UHFFFAOYSA-NSynonyms
CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)F
InChI=1SC22H23BrFN5O2Sc113(2)171015(23)6918(17)2620(30)123222282719(29(22)3)112521(31)144716(24)8514h41013H1112H213H3(H2531)(H2630)
MFCD04393400
N((5((2((4bromo2(propan2yl)phenyl)amino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)methyl)4fluorobenzamide
N((5(2(4BROMO2PROPAN2YLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)4FLUOROBENZAMIDE
ZINC000002859595
ZINC02859595
ZINC2859595
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