Vitas-M small molecule compound

N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-iodobenzamide

Catalog ID
STK243757
SMILES Ic1cccc(c1)C(=O)NC(=S)Nc1ccc(cc1)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 C21H14IN3O2S MW 499.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14IN3O2S/c22-15-5-3-4-14(12-15)19(26)25-21(28)23-16-10-8-13(9-11-16)20-24-17-6-1-2-7-18(17)27-20/h1-12H,(H2,23,25,26,28)
InChIKey
MGRXWOSKQQYFEI-UHFFFAOYSA-N
Synonyms
428446-14-4
428446144
C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)I
InChI=1SC21H14IN3O2Sc221553414(1215)19(26)2521(28)231610813(91116)202417612718(17)2720h112H(H223252628)
MFCD02630755
N((4(13benzoxazol2yl)phenyl)carbamothioyl)3iodobenzamide
N((4(benzo(d)oxazol2yl)phenyl)carbamothioyl)3iodobenzamide
ZINC000002408099
ZINC02408099
ZINC2408099

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Available files

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