Vitas-M small molecule compound

ethyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK370348
SMILES CCOC(=O)c1c(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)sc2c1CCC(C2)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 C16H16F7NO3S MW 435.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16F7NO3S/c1-3-27-12(25)10-8-5-4-7(2)6-9(8)28-11(10)24-13(26)14(17,18)15(19,20)16(21,22)23/h7H,3-6H2,1-2H3,(H,24,26)
InChIKey
LNGCEQPUVUPRHG-UHFFFAOYSA-N
Synonyms
300860-41-7
300860417
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
ethyl2((2233444heptafluorobutanoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(2233444heptafluorobutanoylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC16H16F7NO3Sc132712(25)108547(2)69(8)2811(10)2413(26)14(1718)15(1920)16(2122)23h7H36H212H3(H2426)
MFCD00351852
ZINC000002765679
ZINC000002765680

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Available files

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