Vitas-M small molecule compound

2-(6-methoxy-2,2,4-trimethylquinolin-1(2H)-yl)-2-oxoethyl thiocyanate

Catalog ID
STK292275
SMILES N#CSCC(=O)N1c2ccc(cc2C(=CC1(C)C)C)OC

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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 C16H18N2O2S MW 302.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O2S/c1-11-8-16(2,3)18(15(19)9-21-10-17)14-6-5-12(20-4)7-13(11)14/h5-8H,9H2,1-4H3
InChIKey
JWRZYJXIMYEARL-UHFFFAOYSA-N
Synonyms

(2(6METHOXY224TRIMETHYL(12DIHYDROQUINOLYL))2OXOETHYL)THIOCARBONITRILE
(2(6methoxy224trimethylquinolin1yl)2oxoethyl)thiocyanate
2(6methoxy224trimethylquinolin1(2H)yl)2oxoethylthiocyanate
CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)CSC#N)(C)C
InChI=1SC16H18N2O2Sc111816(23)18(15(19)9211017)146512(204)713(11)14h58H9H214H3
MFCD08723599
ZINC000009939184
ZINC09939184
ZINC9939184

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Available files

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