Vitas-M small molecule compound

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

Catalog ID
STK409590
SMILES CCO/C=N/c1sc2c(c1C#N)CCC(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 C13H16N2OS MW 248.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2OS/c1-3-16-8-15-13-11(7-14)10-5-4-9(2)6-12(10)17-13/h8-9H,3-6H2,1-2H3/b15-8+
InChIKey
IEHONSQTXGWTKD-OVCLIPMQSA-N
Synonyms

(E)ethylN(3cyano6methyl4567tetrahydrobenzo(b)thiophen2yl)formimidate
CCOC=NC1=C(C2=C(S1)CC(CC2)C)C#N
CCOC=Nc1sc2c(c1C#N)CCC(C2)C
ethyl(1E)N(3cyano6methyl4567tetrahydro1benzothiophen2yl)methanimidate
ethyl(3cyano6methyl4567tetrahydro1benzothiophen2yl)imidoformate
InChI=1SC13H16N2OSc13168151311(714)10549(2)612(10)1713h89H36H212H3b158+
MFCD02238813
ZINC000002296614
ZINC000002296616

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Available files

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