Vitas-M small molecule compound

ethyl (6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imidoformate

Catalog ID
STK402000
SMILES CCO/C=N/c1sc2c(c1C#N)CCC(C2)C(C)(C)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 C16H22N2OS MW 290.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N2OS/c1-5-19-10-18-15-13(9-17)12-7-6-11(16(2,3)4)8-14(12)20-15/h10-11H,5-8H2,1-4H3/b18-10+
InChIKey
VGJMJPQOSBRXGX-VCHYOVAHSA-N
Synonyms
351005-86-2
351005862
CCOC=NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N
CCOC=Nc1sc2c(c1C#N)CCC(C2)C(C)(C)C
ethyl(1E)N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)methanimidate
ethyl(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)imidoformate
InChI=1SC16H22N2OSc151910181513(917)127611(16(23)4)814(12)2015h1011H58H214H3b1810+
MFCD01855936
ZINC000002296383
ZINC000002296385

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Available files

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