Vitas-M small molecule compound
5-bromo-2-(difluoromethoxy)-N-[3-(ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-yl]benzamide
Catalog ID
STL173791
SMILES CCSc1nnc(n1NC(=O)c1cc(Br)ccc1OC(F)F)C
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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 C13H13BrF2N4O2S MW 407.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13BrF2N4O2S/c1-3-23-13-18-17-7(2)20(13)19-11(21)9-6-8(14)4-5-10(9)22-12(15)16/h4-6,12H,3H2,1-2H3,(H,19,21)InChIKey
UEWUFEGLHREEQY-UHFFFAOYSA-NSynonyms
828287-70-35bromo2(difluoromethoxy)N(3(ethylsulfanyl)5methyl4H124triazol4yl)benzamide
5BROMO2(DIFLUOROMETHOXY)N(3ETHYLSULFANYL5METHYL124TRIAZOL4YL)BENZAMIDE
828287703
CCSC1=NN=C(N1NC(=O)C2=C(C=CC(=C2)Br)OC(F)F)C
InChI=1SC13H13BrF2N4O2Sc13231318177(2)20(13)1911(21)968(14)4510(9)2212(15)16h4612H3H212H3(H1921)
MFCD04047862
ZINC000002792582
ZINC02792582
ZINC2792582
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