Vitas-M small molecule compound
N-{[5-({2-[(2-ethyl-6-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
Catalog ID
STK136586
SMILES CCc1cccc(c1NC(=O)CSc1nnc(n1C)CNC(=O)c1ccccc1F)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 C22H24FN5O2S MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24FN5O2S/c1-4-15-9-7-8-14(2)20(15)25-19(29)13-31-22-27-26-18(28(22)3)12-24-21(30)16-10-5-6-11-17(16)23/h5-11H,4,12-13H2,1-3H3,(H,24,30)(H,25,29)InChIKey
PIHXAIKYYVFFSF-UHFFFAOYSA-NSynonyms
CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3F)C
InChI=1SC22H24FN5O2Sc141597814(2)20(15)2519(29)133122272618(28(22)3)122421(30)1610561117(16)23h511H41213H213H3(H2430)(H2529)
MFCD06662660
N((5((2((2ETHYL6METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)2FLUOROBENZAMIDE
N((5(2(2ETHYL6METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)2FLUOROBENZAMIDE
ZINC000009305305
ZINC09305305
ZINC9305305
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