Vitas-M small molecule compound

N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(4-iodo-1H-pyrazol-1-yl)acetamide

Catalog ID
STK785507
SMILES N#Cc1c(NC(=O)Cn2ncc(c2)I)sc2c1CCCCCC2

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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 C16H17IN4OS MW 440.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17IN4OS/c17-11-8-19-21(9-11)10-15(22)20-16-13(7-18)12-5-3-1-2-4-6-14(12)23-16/h8-9H,1-6,10H2,(H,20,22)
InChIKey
VAGLCFXAMAVNCV-UHFFFAOYSA-N
Synonyms

C1CCCC2=C(CC1)C(=C(S2)NC(=O)CN3C=C(C=N3)I)C#N
InChI=1SC16H17IN4OSc171181921(911)1015(22)201613(718)1253124614(12)2316h89H1610H2(H2022)
MFCD07658915
N(3cyano456789hexahydrocycloocta(b)thiophen2yl)2(4iodo1Hpyrazol1yl)acetamide
N(3cyano456789hexahydrocycloocta(b)thiophen2yl)2(4iodopyrazol1yl)acetamide
ZINC000012428309
ZINC12428309

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Available files

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