Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one
Catalog ID
STL565624
SMILES COc1cc2CCN(C(=C)c2cc1OC)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 C22H21NO5 MW 379.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5/c1-14-17-12-20(26-3)19(25-2)11-16(17)8-9-23(14)22(24)7-5-15-4-6-18-21(10-15)28-13-27-18/h4-7,10-12H,1,8-9,13H2,2-3H3/b7-5+InChIKey
KLVPWGIDKMSJQW-FNORWQNLSA-NSynonyms
864753-08-2(2E)3(13benzodioxol5yl)1(67dimethoxy1methylidene34dihydroisoquinolin2(1H)yl)prop2en1one
(E)3(13benzodioxol5yl)1(67dimethoxy1methylidene34dihydroisoquinolin2yl)prop2en1one
(E)3(benzo(d)(13)dioxol5yl)1(67dimethoxy1methylene34dihydroisoquinolin2(1H)yl)prop2en1one
6235851
864753082
COc1cc2CCN(C(=C)c2cc1OC)C(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC22H21NO5c114171220(263)19(252)1116(17)8923(14)22(24)7515461821(1015)28132718h471012H18913H223H3b75+
MFCD06767372
ZINC000004085437
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