Vitas-M small molecule compound
2-bromo-N-{1-[4-ethyl-5-({2-[(3-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK186886
SMILES CCn1c(SCC(=O)Nc2cccc(c2)F)nnc1C(NC(=O)c1ccccc1Br)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 C21H21BrFN5O2S MW 506.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrFN5O2S/c1-3-28-19(13(2)24-20(30)16-9-4-5-10-17(16)22)26-27-21(28)31-12-18(29)25-15-8-6-7-14(23)11-15/h4-11,13H,3,12H2,1-2H3,(H,24,30)(H,25,29)InChIKey
CXKMCMIDNXFKEO-UHFFFAOYSA-NSynonyms
2BROMON(1(4ETHYL5((2((3FLUOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
2BROMON(1(4ETHYL5(2(3FLUOROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)F)C(C)NC(=O)C3=CC=CC=C3Br
InChI=1SC21H21BrFN5O2Sc132819(13(2)2420(30)169451017(16)22)262721(28)311218(29)251586714(23)1115h41113H312H212H3(H2430)(H2529)
MFCD06631250
ZINC000009262621
ZINC000009262624
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