Vitas-M small molecule compound

ethyl 2-[(azepan-1-ylacetyl)amino]-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK280117
SMILES CCOC(=O)c1c(NC(=O)CN2CCCCCC2)sc2c1CCCC2=O

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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 C19H26N2O4S MW 378.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26N2O4S/c1-2-25-19(24)16-13-8-7-9-14(22)17(13)26-18(16)20-15(23)12-21-10-5-3-4-6-11-21/h2-12H2,1H3,(H,20,23)
InChIKey
BHDSPWVKFTWDIM-UHFFFAOYSA-N
Synonyms
296266-70-1
296266701
CCOC(=O)C1=C(SC2=C1CCCC2=O)NC(=O)CN3CCCCCC3
ETHYL2((2(AZEPAN1YL)ACETYL)AMINO)7OXO56DIHYDRO4H1BENZOTHIOPHENE3CARBOXYLATE
ethyl2((azepan1ylacetyl)amino)7oxo4567tetrahydro1benzothiophene3carboxylate
InChI=1SC19H26N2O4Sc122519(24)161387914(22)17(13)2618(16)2015(23)12211053461121h212H21H3(H2023)
MFCD00366415
ZINC000002075262
ZINC2075262

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Available files

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