Vitas-M small molecule compound

(2E)-3-[5-(4-acetylphenyl)furan-2-yl]-2-[(4-methylpiperazin-1-yl)carbonyl]prop-2-enenitrile

Catalog ID
STK823057
SMILES N#C/C(=C\c1ccc(o1)c1ccc(cc1)C(=O)C)/C(=O)N1CCN(CC1)C

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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 C21H21N3O3 MW 363.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3/c1-15(25)16-3-5-17(6-4-16)20-8-7-19(27-20)13-18(14-22)21(26)24-11-9-23(2)10-12-24/h3-8,13H,9-12H2,1-2H3/b18-13+
InChIKey
KEOHDEAXCOUJFG-QGOAFFKASA-N
Synonyms

(2E)3(5(4acetylphenyl)furan2yl)2((4methylpiperazin1yl)carbonyl)prop2enenitrile
(E)3(5(4acetylphenyl)furan2yl)2(4methylpiperazine1carbonyl)prop2enenitrile
CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)N3CCN(CC3)C
InChI=1SC21H21N3O3c115(25)163517(6416)208719(2720)1318(1422)21(26)2411923(2)101224h3813H912H212H3b1813+
MFCD03463619
N#CC(=Cc1ccc(o1)c1ccc(cc1)C(=O)C)C(=O)N1CCN(CC1)C
ZINC000027018339
ZINC27018339

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Available files

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