Vitas-M small molecule compound
(2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]prop-2-enenitrile
Catalog ID
STK326623
SMILES N#C/C(=C\c1cc(n(c1C)c1ccc(cc1)[N+](=O)[O-])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 C25H22N4O3 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O3/c1-17-13-21(18(2)28(17)23-7-9-24(10-8-23)29(31)32)14-22(15-26)25(30)27-12-11-19-5-3-4-6-20(19)16-27/h3-10,13-14H,11-12,16H2,1-2H3/b22-14+InChIKey
NMMIJCNQNSAWPP-HYARGMPZSA-NSynonyms
(2E)2(34DIHYDROISOQUINOLIN2(1H)YLCARBONYL)3(25DIMETHYL1(4NITROPHENYL)1HPYRROL3YL)PROP2ENENITRILE
(E)2(34DIHYDRO1HISOQUINOLINE2CARBONYL)3(25DIMETHYL1(4NITROPHENYL)PYRROL3YL)PROP2ENENITRILE
CC1=CC(=C(N1C2=CC=C(C=C2)(N+)(=O)(O))C)C=C(C#N)C(=O)N3CCC4=CC=CC=C4C3
InChI=1SC25H22N4O3c1171321(18(2)28(17)237924(10823)29(31)32)1422(1526)25(30)27121119534620(19)1627h3101314H111216H212H3b2214+
MFCD02314442
N#CC(=Cc1cc(n(c1C)c1ccc(cc1)(N+)(=O)(O))C)C(=O)N1CCc2c(C1)cccc2
ZINC000004086970
ZINC04086970
ZINC4086970
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