Vitas-M small molecule compound

(7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-methylphenyl)methanone

Catalog ID
STK577881
SMILES C=C1c2cc3OCCCOc3cc2CCN1C(=O)c1ccccc1C

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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 C21H21NO3 MW 335.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO3/c1-14-6-3-4-7-17(14)21(23)22-9-8-16-12-19-20(13-18(16)15(22)2)25-11-5-10-24-19/h3-4,6-7,12-13H,2,5,8-11H2,1H3
InChIKey
IKPLIUNKTKJRIJ-UHFFFAOYSA-N
Synonyms
883953-73-9
(7methylene34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)(otolyl)methanone
(7methylidene34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)(2methylphenyl)methanone
(7methylidene34910tetrahydro2H(14)dioxepino(23g)isoquinolin8yl)(2methylphenyl)methanone
883953739
CC1=CC=CC=C1C(=O)N2CCC3=CC4=C(C=C3C2=C)OCCCO4
InChI=1SC21H21NO3c114634717(14)21(23)229816121920(1318(16)15(22)2)25115102419h34671213H25811H21H3
MFCD07640333
ZINC000005450897
ZINC05450897
ZINC5450897

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Available files

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