Vitas-M small molecule compound

2-{[(3-methylphenoxy)acetyl]amino}-N-(prop-2-en-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK811218
SMILES C=CCNC(=O)c1c(NC(=O)COc2cccc(c2)C)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 C21H24N2O3S MW 384.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O3S/c1-3-11-22-20(25)19-16-9-4-5-10-17(16)27-21(19)23-18(24)13-26-15-8-6-7-14(2)12-15/h3,6-8,12H,1,4-5,9-11,13H2,2H3,(H,22,25)(H,23,24)
InChIKey
QACKFRIRFRLBNC-UHFFFAOYSA-N
Synonyms

2(((3methylphenoxy)acetyl)amino)N(prop2en1yl)4567tetrahydro1benzothiophene3carboxamide
2((2(3methylphenoxy)acetyl)amino)Nprop2enyl4567tetrahydro1benzothiophene3carboxamide
CC1=CC(=CC=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC=C
InChI=1SC21H24N2O3Sc13112220(25)19169451017(16)2721(19)2318(24)13261586714(2)1215h36812H14591113H22H3(H2225)(H2324)
MFCD02978232
ZINC000005027476
ZINC05027476
ZINC5027476

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Available files

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