Vitas-M small molecule compound

5-{[3-(benzylcarbamoyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid

Catalog ID
STK471111
SMILES CCC1CCc2c(C1)sc(c2C(=O)NCc1ccccc1)NC(=O)CC(CC(=O)O)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 C24H30N2O4S MW 442.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2O4S/c1-3-16-9-10-18-19(13-16)31-24(26-20(27)11-15(2)12-21(28)29)22(18)23(30)25-14-17-7-5-4-6-8-17/h4-8,15-16H,3,9-14H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)
InChIKey
LMUCYDMVFFIYNG-UHFFFAOYSA-N
Synonyms

5((3(benzylcarbamoyl)6ethyl4567tetrahydro1benzothiophen2yl)amino)3methyl5oxopentanoicacid
CCC1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CC=C3)NC(=O)CC(C)CC(=O)O
InChI=1SC24H30N2O4Sc13169101819(1316)3124(2620(27)1115(2)1221(28)29)22(18)23(30)2514177546817h481516H3914H212H3(H2530)(H2627)(H2829)
MFCD06021742
ZINC000019636858
ZINC000019636871

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Available files

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