Vitas-M small molecule compound

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

Catalog ID
STK097815
SMILES S=C(NC(=O)c1ccccc1F)Nc1cc(ccc1C)c1nc2c(o1)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 C22H16FN3O2S MW 405.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O2S/c1-13-10-11-14(21-24-17-8-4-5-9-19(17)28-21)12-18(13)25-22(29)26-20(27)15-6-2-3-7-16(15)23/h2-12H,1H3,(H2,25,26,27,29)
InChIKey
JUQAVUSOXSYDOD-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC=CC=C4F
InChI=1SC22H16FN3O2Sc113101114(212417845919(17)2821)1218(13)2522(29)2620(27)15623716(15)23h212H1H3(H225262729)
MFCD03031326
N((5(13BENZOXAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)2FLUOROBENZAMIDE
S=C(NC(=O)c1ccccc1F)Nc1cc(ccc1C)c1nc2c(o1)cccc2
STK097815
ZINC000002979454
ZINC02979454
ZINC2979454

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Available files

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