Vitas-M small molecule compound

6-bromo-5-methoxy-3,3-dimethyl-1-(methylsulfanyl)-3,4-dihydroisoquinoline

Catalog ID
STK681327
SMILES CSC1=NC(C)(C)Cc2c1ccc(c2OC)Br

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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 C13H16BrNOS MW 314.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16BrNOS/c1-13(2)7-9-8(12(15-13)17-4)5-6-10(14)11(9)16-3/h5-6H,7H2,1-4H3
InChIKey
IORNQDLBXHGJKK-UHFFFAOYSA-N
Synonyms

6bromo5methoxy33dimethyl1(methylsulfanyl)34dihydroisoquinoline
6BROMO5METHOXY33DIMETHYL1METHYLSULFANYL4HISOQUINOLINE
CC1(CC2=C(C=CC(=C2OC)Br)C(=N1)SC)C
InChI=1SC13H16BrNOSc113(2)798(12(1513)174)5610(14)11(9)163h56H7H214H3
MFCD03768808
ZINC000000107197
ZINC00107197
ZINC107197

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Available files

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