Vitas-M small molecule compound

4-fluoro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide

Catalog ID
STK863743
SMILES S=C(NC(=O)c1ccc(cc1)F)Nc1ccc2c(c1)nc(o2)c1cccc(c1)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 C22H16FN3O2S MW 405.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O2S/c1-13-3-2-4-15(11-13)21-25-18-12-17(9-10-19(18)28-21)24-22(29)26-20(27)14-5-7-16(23)8-6-14/h2-12H,1H3,(H2,24,26,27,29)
InChIKey
PTRFHQRFIZWGOQ-UHFFFAOYSA-N
Synonyms

4fluoroN((2(3methylphenyl)13benzoxazol5yl)carbamothioyl)benzamide
4fluoroN((2(mtolyl)benzo(d)oxazol5yl)carbamothioyl)benzamide
CC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F
InChI=1SC22H16FN3O2Sc11332415(1113)2125181217(91019(18)2821)2422(29)2620(27)145716(23)8614h212H1H3(H224262729)
MFCD02628254
ZINC000004819438
ZINC04819438
ZINC4819438

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.