Vitas-M small molecule compound

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

Catalog ID
STK448474
SMILES CCCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC(C2)C

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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 C20H23NO3S MW 357.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO3S/c1-3-11-24-20(23)17-15-10-9-13(2)12-16(15)25-19(17)21-18(22)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,21,22)
InChIKey
XOBIRLNNKFFZFA-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=CC=C3
InChI=1SC20H23NO3Sc13112420(23)171510913(2)1216(15)2519(17)2118(22)147546814h4813H3912H212H3(H2122)
MFCD01341060
propyl2benzamido6methyl4567tetrahydro1benzothiophene3carboxylate
propyl6methyl2((phenylcarbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002922442
ZINC000002922443

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Available files

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