Vitas-M small molecule compound

ethyl 2-{[3-(azepan-1-yl)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK280152
SMILES CCOC(=O)c1c(NC(=O)CCN2CCCCCC2)sc2c1CCCC2

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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 C20H30N2O3S MW 378.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H30N2O3S/c1-2-25-20(24)18-15-9-5-6-10-16(15)26-19(18)21-17(23)11-14-22-12-7-3-4-8-13-22/h2-14H2,1H3,(H,21,23)
InChIKey
BQAPWXNJRCIRTB-UHFFFAOYSA-N
Synonyms
297761-75-2
297761752
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCN3CCCCCC3
ethyl2((3(azepan1yl)propanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3(azepan1yl)propanoylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H30N2O3Sc122520(24)18159561016(15)2619(18)2117(23)1114221273481322h214H21H3(H2123)
MFCD00749074
ZINC000001093170
ZINC1093170

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Available files

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