Vitas-M small molecule compound
2-fluoro-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Catalog ID
STK183941
SMILES S=C(NC(=O)c1ccccc1F)Nc1cc2nn(nc2cc1C)c1ccc(cc1)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 C22H18FN5OS MW 419.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18FN5OS/c1-13-7-9-15(10-8-13)28-26-19-11-14(2)18(12-20(19)27-28)24-22(30)25-21(29)16-5-3-4-6-17(16)23/h3-12H,1-2H3,(H2,24,25,29,30)InChIKey
XCPZLLVVKUUENE-UHFFFAOYSA-NSynonyms
2FLUORON((6METHYL2(4METHYLPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
2FLUORON((6METHYL2(4METHYLPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
2fluoroN((6methyl2(ptolyl)2Hbenzo(d)(123)triazol5yl)carbamothioyl)benzamide
CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4F)C
InChI=1SC22H18FN5OSc1137915(10813)2826191114(2)18(1220(19)2728)2422(30)2521(29)16534617(16)23h312H12H3(H224252930)
MFCD02628335
ZINC000002228065
ZINC02228065
ZINC2228065
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