Vitas-M small molecule compound

ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK417111
SMILES CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)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 C19H19NO5S MW 373.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO5S/c1-2-23-19(22)16-12-5-3-4-6-15(12)26-18(16)20-17(21)11-7-8-13-14(9-11)25-10-24-13/h7-9H,2-6,10H2,1H3,(H,20,21)
InChIKey
ARHMNHIWZSMZJF-UHFFFAOYSA-N
Synonyms
325694-57-3
325694573
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=C(C=C3)OCO4
ethyl2((13benzodioxol5ylcarbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(13benzodioxole5carbonylamino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(benzo(d)(13)dioxole5carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC19H19NO5Sc122319(22)1612534615(12)2618(16)2017(21)11781314(911)25102413h79H2610H21H3(H2021)
MFCD00644442
ZINC000000694612
ZINC00694612
ZINC694612

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Available files

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