Vitas-M small molecule compound

N-[3-(1H-imidazol-1-yl)propyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Catalog ID
STK488977
SMILES CC1CCc2c(C1)cc(s2)C(=O)NCCCn1cncc1

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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 C16H21N3OS MW 303.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3OS/c1-12-3-4-14-13(9-12)10-15(21-14)16(20)18-5-2-7-19-8-6-17-11-19/h6,8,10-12H,2-5,7,9H2,1H3,(H,18,20)
InChIKey
XHIAMNYHSNJXDT-UHFFFAOYSA-N
Synonyms
852851-38-8
852851388
CC1CCC2=C(C1)C=C(S2)C(=O)NCCCN3C=CN=C3
InChI=1SC16H21N3OSc112341413(912)1015(2114)16(20)185271986171119h681012H2579H21H3(H1820)
MFCD06682680
N(3(1Himidazol1yl)propyl)5methyl4567tetrahydro1benzothiophene2carboxamide
N(3imidazol1ylpropyl)5methyl4567tetrahydro1benzothiophene2carboxamide
ZINC000005267522
ZINC000005267525

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Available files

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