Vitas-M small molecule compound

N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide

Catalog ID
STK163960
SMILES S=C(NC(=O)c1cccc(c1)F)Nc1ccc(c(c1)c1nc2c(o1)cc(cc2)C)Cl

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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 C22H15ClFN3O2S MW 439.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClFN3O2S/c1-12-5-8-18-19(9-12)29-21(26-18)16-11-15(6-7-17(16)23)25-22(30)27-20(28)13-3-2-4-14(24)10-13/h2-11H,1H3,(H2,25,27,28,30)
InChIKey
FDMDFAFZDPFFSD-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)F)Cl
InChI=1SC22H15ClFN3O2Sc112581819(912)2921(2618)161115(6717(16)23)2522(30)2720(28)1332414(24)1013h211H1H3(H225272830)
MFCD03134968
N((4CHLORO3(6METHYL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)3FLUOROBENZAMIDE
ZINC000002978633
ZINC02978633
ZINC2978633

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Available files

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