Vitas-M small molecule compound

N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2,3,3,4,4,4-heptafluorobutanamide

Catalog ID
STK428391
SMILES N#Cc1c(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 C14H11F7N2OS MW 388.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11F7N2OS/c1-6-2-3-7-8(5-22)10(25-9(7)4-6)23-11(24)12(15,16)13(17,18)14(19,20)21/h6H,2-4H2,1H3,(H,23,24)
InChIKey
ZUPAGRYUMRPXJG-UHFFFAOYSA-N
Synonyms

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI=1SC14H11F7N2OSc162378(522)10(259(7)46)2311(24)12(1516)13(1718)14(1920)21h6H24H21H3(H2324)
MFCD01359037
N(3cyano6methyl4567tetrahydro1benzothiophen2yl)2233444heptafluorobutanamide
ZINC000005528124
ZINC000005529382

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Available files

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