Vitas-M small molecule compound

N-[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl]-3-iodobenzamide

Catalog ID
STK295335
SMILES CCc1nnc2n1nc(s2)c1ccc(cc1)CNC(=O)c1cccc(c1)I

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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 C19H16IN5OS MW 489.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16IN5OS/c1-2-16-22-23-19-25(16)24-18(27-19)13-8-6-12(7-9-13)11-21-17(26)14-4-3-5-15(20)10-14/h3-10H,2,11H2,1H3,(H,21,26)
InChIKey
MQDOKFRQYMGSGX-UHFFFAOYSA-N
Synonyms

CCC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)CNC(=O)C4=CC(=CC=C4)I
InChI=1SC19H16IN5OSc121622231925(16)2418(2719)138612(7913)112117(26)1443515(20)1014h310H211H21H3(H2126)
MFCD09960613
N((4(3ethyl(124)triazolo(34b)(134)thiadiazol6yl)phenyl)methyl)3iodobenzamide
N(4(3ethyl(124)triazolo(34b)(134)thiadiazol6yl)benzyl)3iodobenzamide
ZINC000013954809
ZINC13954809

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Available files

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