Vitas-M small molecule compound

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

Catalog ID
STK864012
SMILES CCCC(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1cccc2c1cccc2Cl

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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 C22H18ClN3O2S MW 423.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN3O2S/c1-2-5-20(27)26-22(29)24-13-10-11-19-18(12-13)25-21(28-19)16-8-3-7-15-14(16)6-4-9-17(15)23/h3-4,6-12H,2,5H2,1H3,(H2,24,26,27,29)
InChIKey
PJXVEIWTMPZXHH-UHFFFAOYSA-N
Synonyms
445439-18-9
445439189
CCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=CC4=C3C=CC=C4Cl
InChI=1SC22H18ClN3O2Sc12520(27)2622(29)241310111918(1213)2521(2819)168371514(16)64917(15)23h34612H25H21H3(H224262729)
MFCD03260129
N((2(5chloronaphthalen1yl)13benzoxazol5yl)carbamothioyl)butanamide
N((2(5chloronaphthalen1yl)benzo(d)oxazol5yl)carbamothioyl)butyramide
ZINC000001165518
ZINC01165518
ZINC1165518

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Available files

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