Vitas-M small molecule compound

(2E)-3-(2,4-dichlorophenyl)-1-(7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)prop-2-en-1-one

Catalog ID
STK581828
SMILES Clc1ccc(c(c1)Cl)/C=C/C(=O)N1CCc2c(C1=C)cc1c(c2)OCCCO1

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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 C22H19Cl2NO3 MW 416.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19Cl2NO3/c1-14-18-13-21-20(27-9-2-10-28-21)11-16(18)7-8-25(14)22(26)6-4-15-3-5-17(23)12-19(15)24/h3-6,11-13H,1-2,7-10H2/b6-4+
InChIKey
WATIIAJPGXUAHX-GQCTYLIASA-N
Synonyms
883953-87-5
(2E)3(24dichlorophenyl)1(7methylidene34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)prop2en1one
(E)3(24dichlorophenyl)1(7methylene34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)prop2en1one
(E)3(24dichlorophenyl)1(7methylidene34910tetrahydro2H(14)dioxepino(23g)isoquinolin8yl)prop2en1one
883953875
C=C1C2=CC3=C(C=C2CCN1C(=O)C=CC4=C(C=C(C=C4)Cl)Cl)OCCCO3
Clc1ccc(c(c1)Cl)C=CC(=O)N1CCc2c(C1=C)cc1c(c2)OCCCO1
InChI=1SC22H19Cl2NO3c11418132120(2792102821)1116(18)7825(14)22(26)64153517(23)1219(15)24h361113H12710H2b64+
MFCD07638535
ZINC000005388888
ZINC05388888
ZINC5388888

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Available files

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