Vitas-M small molecule compound

(2E)-3-(3-methoxyphenyl)-1-(5-methylidene-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)prop-2-en-1-one

Catalog ID
STL516162
SMILES COc1cccc(c1)/C=C/C(=O)N1CCc2c(C1=C)cc1c(c2)OCO1

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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 C21H19NO4 MW 349.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO4/c1-14-18-12-20-19(25-13-26-20)11-16(18)8-9-22(14)21(23)7-6-15-4-3-5-17(10-15)24-2/h3-7,10-12H,1,8-9,13H2,2H3/b7-6+
InChIKey
JKWUCYGZRRRGPJ-VOTSOKGWSA-N
Synonyms
883954-88-9
(~(E))3(3methoxyphenyl)1(5methylidene78dihydro(13)dioxolo(45g)isoquinolin6yl)prop2en1one
(2E)3(3methoxyphenyl)1(5methylidene78dihydro(13)dioxolo(45g)isoquinolin6(5H)yl)prop2en1one
(E)3(3methoxyphenyl)1(5methylene78dihydro(13)dioxolo(45g)isoquinolin6(5H)yl)prop2en1one
(E)3(3METHOXYPHENYL)1(5METHYLIDENE78DIHYDRO(13)DIOXOLO(45G)ISOQUINOLIN6YL)PROP2EN1ONE
7097124
883954889
COc1cccc(c1)C=CC(=O)N1CCc2c(C1=C)cc1c(c2)OCO1
InChI=1SC21H19NO4c11418122019(25132620)1116(18)8922(14)21(23)761543517(1015)242h371012H18913H22H3b76+
MFCD07637134
ZINC000004090303
ZINC4090303

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Available files

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