Vitas-M small molecule compound

N-[3-(azepan-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

Catalog ID
STK280183
SMILES O=C(c1c(sc2c1CCCC2)NC(=O)c1ccccc1)N1CCCCCC1

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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 C22H26N2O2S MW 382.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O2S/c25-20(16-10-4-3-5-11-16)23-21-19(17-12-6-7-13-18(17)27-21)22(26)24-14-8-1-2-9-15-24/h3-5,10-11H,1-2,6-9,12-15H2,(H,23,25)
InChIKey
KHFUIRPQGGEITN-UHFFFAOYSA-N
Synonyms
331275-48-0
331275480
C1CCCN(CC1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4
InChI=1SC22H26N2O2Sc2520(16104351116)232119(1712671318(17)2721)22(26)241481291524h351011H12691215H2(H2325)
MFCD00769546
N(3(azepan1ylcarbonyl)4567tetrahydro1benzothiophen2yl)benzamide
N(3(azepane1carbonyl)4567tetrahydro1benzothiophen2yl)benzamide
ZINC000003098239
ZINC03098239
ZINC3098239

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Available files

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