Vitas-M small molecule compound

(3E)-4-(1H-indol-3-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one

Catalog ID
STL537980
SMILES COc1c2c(CCN(C2CC(=O)/C=C/c2c[nH]c3c2cccc3)C)cc2c1OCO2

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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 C24H24N2O4 MW 404.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O4/c1-26-10-9-15-11-21-23(30-14-29-21)24(28-2)22(15)20(26)12-17(27)8-7-16-13-25-19-6-4-3-5-18(16)19/h3-8,11,13,20,25H,9-10,12,14H2,1-2H3/b8-7+
InChIKey
SFCDKHFGEPUQLE-BQYQJAHWSA-N
Synonyms
400782-86-7
(~(E))4(1~(H)indol3yl)1(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)but3en2one
(3E)4(1Hindol3yl)1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)but3en2one
(E)4(1Hindol3yl)1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)but3en2one
(E)4(1HINDOL3YL)1(4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN5YL)BUT3EN2ONE
400782867
6110058
COc1c2c(CCN(C2CC(=O)C=Cc2c(nH)c3c2cccc3)C)cc2c1OCO2
InChI=1SC24H24N2O4c12610915112123(30142921)24(282)22(15)20(26)1217(27)8716132519643518(16)19h3811132025H9101214H212H3b87+
MFCD02115542
ZINC000020113902
ZINC000020113904

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Available files

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