Vitas-M small molecule compound

N-(3,5-dimethylphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide

Catalog ID
STK098344
SMILES Cc1cc(cc(c1)C)NC(=S)N1CCc2c(C1)cccc2

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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 C18H20N2S MW 296.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2S/c1-13-9-14(2)11-17(10-13)19-18(21)20-8-7-15-5-3-4-6-16(15)12-20/h3-6,9-11H,7-8,12H2,1-2H3,(H,19,21)
InChIKey
IASKBDWTXYVWDJ-UHFFFAOYSA-N
Synonyms

CC1=CC(=CC(=C1)NC(=S)N2CCC3=CC=CC=C3C2)C
Cc1cc(cc(c1)C)NC(=S)N1CCc2c(C1)cccc2
InChI=1SC18H20N2Sc113914(2)1117(1013)1918(21)208715534616(15)1220h36911H7812H212H3(H1921)
MFCD03352555
N(35DIMETHYLPHENYL)34DIHYDRO1HISOQUINOLINE2CARBOTHIOAMIDE
N(35DIMETHYLPHENYL)34DIHYDROISOQUINOLINE2(1H)CARBOTHIOAMIDE
STK098344
ZINC000000467712
ZINC00467712
ZINC467712

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Available files

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