Vitas-M small molecule compound

(2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)prop-2-enenitrile

Catalog ID
STK386325
SMILES N#C/C(=C\c1cc(n(c1C)c1ccc(cc1)Br)C)/C(=O)N1CCc2c(C1)cccc2

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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 C25H22BrN3O MW 460.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN3O/c1-17-13-21(18(2)29(17)24-9-7-23(26)8-10-24)14-22(15-27)25(30)28-12-11-19-5-3-4-6-20(19)16-28/h3-10,13-14H,11-12,16H2,1-2H3/b22-14+
InChIKey
YYYRQAXVMRGQMT-HYARGMPZSA-N
Synonyms

(2E)3(1(4BROMOPHENYL)25DIMETHYL1HPYRROL3YL)2(34DIHYDROISOQUINOLIN2(1H)YLCARBONYL)PROP2ENENITRILE
(E)3(1(4BROMOPHENYL)25DIMETHYLPYRROL3YL)2(34DIHYDRO1HISOQUINOLINE2CARBONYL)PROP2ENENITRILE
CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=C(C#N)C(=O)N3CCC4=CC=CC=C4C3
InChI=1SC25H22BrN3Oc1171321(18(2)29(17)249723(26)81024)1422(1527)25(30)28121119534620(19)1628h3101314H111216H212H3b2214+
MFCD02314443
N#CC(=Cc1cc(n(c1C)c1ccc(cc1)Br)C)C(=O)N1CCc2c(C1)cccc2
ZINC000004086997
ZINC04086997
ZINC4086997

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Available files

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