Vitas-M small molecule compound
2-fluoro-N-{[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK221837
SMILES O=C(Nc1ccc(cc1)F)CSc1nnc(n1C(C)C)CNC(=O)c1ccccc1F
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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 C21H21F2N5O2S MW 445.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F2N5O2S/c1-13(2)28-18(11-24-20(30)16-5-3-4-6-17(16)23)26-27-21(28)31-12-19(29)25-15-9-7-14(22)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,24,30)(H,25,29)InChIKey
JPUDUXNLEBIJSQ-UHFFFAOYSA-NSynonyms
2FLUORON((5((2((4FLUOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROPAN2YL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
2FLUORON((5(2(4FLUOROANILINO)2OXOETHYL)SULFANYL4PROPAN2YL124TRIAZOL3YL)METHYL)BENZAMIDE
CC(C)N1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)CNC(=O)C3=CC=CC=C3F
InChI=1SC21H21F2N5O2Sc113(2)2818(112420(30)16534617(16)23)262721(28)311219(29)25159714(22)81015h31013H1112H212H3(H2430)(H2529)
MFCD07403205
ZINC000009263999
ZINC09263999
ZINC9263999
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