Vitas-M small molecule compound

(2E)-3-(1,3-benzodioxol-5-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one

Catalog ID
STL515444
SMILES COc1cc2CCN(Cc2cc1OC)C(=O)/C=C/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 C21H21NO5 MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO5/c1-24-18-10-15-7-8-22(12-16(15)11-19(18)25-2)21(23)6-4-14-3-5-17-20(9-14)27-13-26-17/h3-6,9-11H,7-8,12-13H2,1-2H3/b6-4+
InChIKey
SZDNAJLLGAKPRC-GQCTYLIASA-N
Synonyms
781632-96-0
(~(E))3(13benzodioxol5yl)1(67dimethoxy34dihydro1~(H)isoquinolin2yl)prop2en1one
(2E)3(13benzodioxol5yl)1(67dimethoxy34dihydroisoquinolin2(1H)yl)prop2en1one
(E)3(13BENZODIOXOL5YL)1(67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)PROP2EN1ONE
(E)3(BENZO(D)(13)DIOXOL5YL)1(67DIMETHOXY34DIHYDROISOQUINOLIN2(1H)YL)PROP2EN1ONE
1788741
781632960
COc1cc2CCN(Cc2cc1OC)C(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC21H21NO5c1241810157822(1216(15)1119(18)252)21(23)6414351720(914)27132617h36911H781213H212H3b64+
MFCD06353912
ZINC000002133435
ZINC2133435

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Available files

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