Vitas-M small molecule compound
N-(4-bromo-2-fluorophenyl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406022
SMILES O=C(Nc1ccc(cc1F)Br)CSc1nnc(n1C)c1ccc2c(c1)OCCCO2
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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 C20H18BrFN4O3S MW 493.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrFN4O3S/c1-26-19(12-3-6-16-17(9-12)29-8-2-7-28-16)24-25-20(26)30-11-18(27)23-15-5-4-13(21)10-14(15)22/h3-6,9-10H,2,7-8,11H2,1H3,(H,23,27)InChIKey
FBRKZVZATQBXAF-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)F)C3=CC4=C(C=C3)OCCCO4
InChI=1SC20H18BrFN4O3Sc12619(12361617(912)298272816)242520(26)301118(27)23155413(21)1014(15)22h36910H27811H21H3(H2327)
MFCD27221223
N(4bromo2fluorophenyl)2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)acetamide
N(4bromo2fluorophenyl)2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000064987231
ZINC64987231
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