Vitas-M small molecule compound

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

Catalog ID
STK279669
SMILES O=C(c1ccccc1)Nc1sc2c(c1C(=O)O)CCCC2

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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 C16H15NO3S MW 301.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15NO3S/c18-14(10-6-2-1-3-7-10)17-15-13(16(19)20)11-8-4-5-9-12(11)21-15/h1-3,6-7H,4-5,8-9H2,(H,17,18)(H,19,20)
InChIKey
CMYBPWJIHAYXGS-UHFFFAOYSA-N
Synonyms
52535-73-6
2((phenylcarbonyl)amino)4567tetrahydro1benzothiophene3carboxylicacid
2benzamido4567tetrahydro1benzothiophene3carboxylicacid
52535736
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)O
InChI=1SC16H15NO3Sc1814(106213710)171513(16(19)20)11845912(11)2115h1367H4589H2(H1718)(H1920)
MFCD00416489
ZINC78111

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Available files

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