Vitas-M small molecule compound

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-nitrophenyl)acetamide

Catalog ID
STK429903
SMILES N#Cc1c(NC(=O)Cc2ccc(cc2)[N+](=O)[O-])sc2c1CCCCC2

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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 C18H17N3O3S MW 355.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O3S/c19-11-15-14-4-2-1-3-5-16(14)25-18(15)20-17(22)10-12-6-8-13(9-7-12)21(23)24/h6-9H,1-5,10H2,(H,20,22)
InChIKey
QAEONMZBBNFJGK-UHFFFAOYSA-N
Synonyms

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC18H17N3O3Sc191115144213516(14)2518(15)2017(22)10126813(9712)21(23)24h69H1510H2(H2022)
MFCD01341537
N#Cc1c(NC(=O)Cc2ccc(cc2)(N+)(=O)(O))sc2c1CCCCC2
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)2(4nitrophenyl)acetamide
ZINC000002736889
ZINC02736889
ZINC2736889

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Available files

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