Vitas-M small molecule compound
2-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
Catalog ID
STK230326
SMILES O=C(NC1CCCCC1)CSc1nnc(n1C)CC(=O)Nc1cccc(c1)C(F)(F)F
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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 C20H24F3N5O2S MW 455.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24F3N5O2S/c1-28-16(11-17(29)25-15-9-5-6-13(10-15)20(21,22)23)26-27-19(28)31-12-18(30)24-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,24,30)(H,25,29)InChIKey
XHGKCSLXRFPLTB-UHFFFAOYSA-NSynonyms
2(5((2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)N(3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
2(5(2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)N(3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
CN1C(=NN=C1SCC(=O)NC2CCCCC2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI=1SC20H24F3N5O2Sc12816(1117(29)251595613(1015)20(2122)23)262719(28)311218(30)24147324814h5691014H24781112H21H3(H2430)(H2529)
MFCD07790371
ZINC000009262968
ZINC09262968
ZINC9262968
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