Vitas-M small molecule compound

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

Catalog ID
STK574486
SMILES O=C(N1CCc2c(C1=C)cc1c(c2)OCCCO1)/C=C/c1cccs1

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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 C20H19NO3S MW 353.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NO3S/c1-14-17-13-19-18(23-9-3-10-24-19)12-15(17)7-8-21(14)20(22)6-5-16-4-2-11-25-16/h2,4-6,11-13H,1,3,7-10H2/b6-5+
InChIKey
JNNRJKJLKSASFO-AATRIKPKSA-N
Synonyms
898919-26-1
(2E)1(7methylidene34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)3(thiophen2yl)prop2en1one
(E)1(7methylene34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)3(thiophen2yl)prop2en1one
(E)1(7methylidene34910tetrahydro2H(14)dioxepino(23g)isoquinolin8yl)3thiophen2ylprop2en1one
898919261
C=C1C2=CC3=C(C=C2CCN1C(=O)C=CC4=CC=CS4)OCCCO3
InChI=1SC20H19NO3Sc11417131918(2393102419)1215(17)7821(14)20(22)651642112516h2461113H13710H2b65+
MFCD07639333
O=C(N1CCc2c(C1=C)cc1c(c2)OCCCO1)C=Cc1cccs1
ZINC000005426821
ZINC05426821
ZINC5426821

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Available files

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