Vitas-M small molecule compound

2-{[2-(3,4-dimethylphenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK703751
SMILES O=C(C(Oc1ccc(c(c1)C)C)C)Nc1sc2c(c1C(=O)N)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 C20H24N2O3S MW 372.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O3S/c1-11-8-9-14(10-12(11)2)25-13(3)19(24)22-20-17(18(21)23)15-6-4-5-7-16(15)26-20/h8-10,13H,4-7H2,1-3H3,(H2,21,23)(H,22,24)
InChIKey
LQBDGJYKTCAXGK-UHFFFAOYSA-N
Synonyms

2((2(34dimethylphenoxy)propanoyl)amino)4567tetrahydro1benzothiophene3carboxamide
2(2(34dimethylphenoxy)propanoylamino)4567tetrahydro1benzothiophene3carboxamide
CC1=C(C=C(C=C1)OC(C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C
InChI=1SC20H24N2O3Sc1118914(1012(11)2)2513(3)19(24)222017(18(21)23)15645716(15)2620h81013H47H213H3(H22123)(H2224)
MFCD02928217
ZINC000001134073
ZINC000001134074

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Available files

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