Vitas-M small molecule compound
N-(4-bromo-2-fluorophenyl)-2-{[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL354074
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2F)Br)nnc1c1ccncc1
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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 C22H17BrFN5O2S MW 514.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrFN5O2S/c1-31-17-5-3-16(4-6-17)29-21(14-8-10-25-11-9-14)27-28-22(29)32-13-20(30)26-19-7-2-15(23)12-18(19)24/h2-12H,13H2,1H3,(H,26,30)InChIKey
XPROPEXSPLGXEG-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)Br)F)C4=CC=NC=C4
InChI=1SC22H17BrFN5O2Sc131175316(4617)2921(148102511914)272822(29)321320(30)26197215(23)1218(19)24h212H13H21H3(H2630)
MFCD03996476
N(4bromo2fluorophenyl)2((4(4methoxyphenyl)5(pyridin4yl)4H124triazol3yl)sulfanyl)acetamide
N(4BROMO2FLUOROPHENYL)2((4(4METHOXYPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000001145095
ZINC01145095
ZINC1145095
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