Vitas-M small molecule compound

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

Catalog ID
STK174443
SMILES CCOC(=O)c1c(NC(=O)c2ccccc2)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 C18H19NO3S MW 329.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO3S/c1-2-22-18(21)15-13-10-6-7-11-14(13)23-17(15)19-16(20)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,19,20)
InChIKey
NXQQGHWARSPUAH-UHFFFAOYSA-N
Synonyms
52580-57-1
52580571
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3
ethyl2((phenylcarbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2benzamido4567tetrahydro1benzothiophene3carboxylate
ethyl2benzamido4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC18H19NO3Sc122218(21)151310671114(13)2317(15)1916(20)128435912h3589H2671011H21H3(H1920)
MFCD00265063
ZINC000000037527
ZINC00037527
ZINC37527

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Available files

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