Vitas-M small molecule compound
2-fluoro-N-{[5-({2-[(5-fluoro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK230546
SMILES O=C(Nc1cc(F)ccc1C)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 C22H23F2N5O2S MW 459.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23F2N5O2S/c1-13(2)29-19(11-25-21(31)16-6-4-5-7-17(16)24)27-28-22(29)32-12-20(30)26-18-10-15(23)9-8-14(18)3/h4-10,13H,11-12H2,1-3H3,(H,25,31)(H,26,30)InChIKey
LOKKKORZPPCZBX-UHFFFAOYSA-NSynonyms
2FLUORON((5((2((5FLUORO2METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROPAN2YL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
2FLUORON((5(2(5FLUORO2METHYLANILINO)2OXOETHYL)SULFANYL4PROPAN2YL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=C(C=C(C=C1)F)NC(=O)CSC2=NN=C(N2C(C)C)CNC(=O)C3=CC=CC=C3F
InChI=1SC22H23F2N5O2Sc113(2)2919(112521(31)16645717(16)24)272822(29)321220(30)26181015(23)9814(18)3h41013H1112H213H3(H2531)(H2630)
MFCD07791465
ZINC000009263994
ZINC09263994
ZINC9263994
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