Vitas-M small molecule compound

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-nitrophenoxy)acetamide

Catalog ID
STK018941
SMILES N#Cc1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCC2

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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 C16H13N3O4S MW 343.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O4S/c17-8-11-10-4-3-7-14(10)24-16(11)18-15(20)9-23-13-6-2-1-5-12(13)19(21)22/h1-2,5-6H,3-4,7,9H2,(H,18,20)
InChIKey
PURHFQAJMLZTHF-UHFFFAOYSA-N
Synonyms

C1CC2=C(C1)SC(=C2C#N)NC(=O)COC3=CC=CC=C3(N+)(=O)(O)
InChI=1SC16H13N3O4Sc178111043714(10)2416(11)1815(20)92313621512(13)19(21)22h1256H3479H2(H1820)
MFCD03015936
N#Cc1c(NC(=O)COc2ccccc2(N+)(=O)(O))sc2c1CCC2
N(3CYANO56DIHYDRO4HCYCLOPENTA(B)THIOPHEN2YL)2(2NITROPHENOXY)ACETAMIDE
STK018941
ZINC000000092264
ZINC00092264
ZINC92264

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Available files

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