Vitas-M small molecule compound

propyl 2-{[2-(2,4-dichlorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK421655
SMILES CCCOC(=O)c1c(NC(=O)C(Oc2ccc(cc2Cl)Cl)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 C21H23Cl2NO4S MW 456.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23Cl2NO4S/c1-3-10-27-21(26)18-14-6-4-5-7-17(14)29-20(18)24-19(25)12(2)28-16-9-8-13(22)11-15(16)23/h8-9,11-12H,3-7,10H2,1-2H3,(H,24,25)
InChIKey
QYXSSSBLACPIMP-UHFFFAOYSA-N
Synonyms
354548-23-5
354548235
CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)Cl
InChI=1SC21H23Cl2NO4Sc13102721(26)1814645717(14)2920(18)2419(25)12(2)28169813(22)1115(16)23h891112H3710H212H3(H2425)
MFCD01336775
propyl2((2(24dichlorophenoxy)propanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
propyl2(2(24dichlorophenoxy)propanoylamino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002092909
ZINC000002092910

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Available files

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