Vitas-M small molecule compound

(1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)(1,3-benzodioxol-5-yl)methanone

Catalog ID
STK922475
SMILES CCc1nc2sc(c(c2c2c1CCCC2)N)C(=O)c1ccc2c(c1)OCO2

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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 C21H20N2O3S MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3S/c1-2-14-12-5-3-4-6-13(12)17-18(22)20(27-21(17)23-14)19(24)11-7-8-15-16(9-11)26-10-25-15/h7-9H,2-6,10,22H2,1H3
InChIKey
DEXCCEQDXAFTEQ-UHFFFAOYSA-N
Synonyms
1011682-29-3
(1amino5ethyl6789tetrahydrothieno(23c)isoquinolin2yl)(13benzodioxol5yl)methanone
1011682293
CCC1=C2CCCCC2=C3C(=C(SC3=N1)C(=O)C4=CC5=C(C=C4)OCO5)N
InChI=1SC21H20N2O3Sc121412534613(12)1718(22)20(2721(17)2314)19(24)11781516(911)26102515h79H261022H21H3
MFCD10086088
ZINC000012249825
ZINC12249825

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Available files

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