Vitas-M small molecule compound
1-(1,3-benzothiazol-2-yl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
Catalog ID
STL330269
SMILES CCC(C(F)(F)F)(C(F)(F)F)NC(=O)Nc1nc2c(s1)cccc2
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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 C13H11F6N3OS MW 371.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11F6N3OS/c1-2-11(12(14,15)16,13(17,18)19)22-9(23)21-10-20-7-5-3-4-6-8(7)24-10/h3-6H,2H2,1H3,(H2,20,21,22,23)InChIKey
DEAIHBAFTKDRMS-UHFFFAOYSA-NSynonyms
1(13benzothiazol2yl)3(111trifluoro2(trifluoromethyl)butan2yl)urea
1(benzo(d)thiazol2yl)3(111trifluoro2(trifluoromethyl)butan2yl)urea
CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=NC2=CC=CC=C2S1
InChI=1SC13H11F6N3OSc1211(12(1415)1613(1718)19)229(23)211020753468(7)2410h36H2H21H3(H220212223)
MFCD00575563
ZINC000008974957
ZINC08974957
ZINC8974957
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