Vitas-M small molecule compound

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

Catalog ID
STK083958
SMILES CCOC(=O)c1c(NC(=O)c2cccc(c2)OC)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 C19H21NO4S MW 359.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO4S/c1-3-24-19(22)16-14-9-4-5-10-15(14)25-18(16)20-17(21)12-7-6-8-13(11-12)23-2/h6-8,11H,3-5,9-10H2,1-2H3,(H,20,21)
InChIKey
SPXAIEXRXRBLEB-UHFFFAOYSA-N
Synonyms
304685-82-3
304685823
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC=C3)OC
CCOC(=O)c1c(NC(=O)c2cccc(c2)OC)sc2c1CCCC2
ethyl2(((3methoxyphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((3methoxybenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3methoxybenzamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC19H21NO4Sc132419(22)16149451015(14)2518(16)2017(21)1276813(1112)232h6811H35910H212H3(H2021)
MFCD00724590
STK083958
ZINC000000694615
ZINC00694615
ZINC694615

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Available files

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