Vitas-M small molecule compound

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide

Catalog ID
STL287028
SMILES N#Cc1c(sc2c1CCCC2)NC(=O)c1ccc2c3c1cccc3CC2

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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 C22H18N2OS MW 358.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2OS/c23-12-18-15-5-1-2-7-19(15)26-22(18)24-21(25)17-11-10-14-9-8-13-4-3-6-16(17)20(13)14/h3-4,6,10-11H,1-2,5,7-9H2,(H,24,25)
InChIKey
XOEUMFYJVFHKFP-UHFFFAOYSA-N
Synonyms

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C4C=CC=C5C4=C(CC5)C=C3)C#N
InChI=1SC22H18N2OSc23121815512719(15)2622(18)2421(25)17111014981343616(17)20(13)14h3461011H12579H2(H2425)
MFCD04213397
N(3cyano4567tetrahydro1benzothiophen2yl)12dihydroacenaphthylene5carboxamide
ZINC000002841552
ZINC02841552
ZINC2841552

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Available files

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