Vitas-M small molecule compound

(2E)-3-[1-(4-bromonaphthalen-1-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methoxyethyl)prop-2-enamide

Catalog ID
STK380692
SMILES COCCNC(=O)/C(=C/c1cc(n(c1C)c1ccc(c2c1cccc2)Br)C)/C#N

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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 C23H22BrN3O2 MW 452.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrN3O2/c1-15-12-17(13-18(14-25)23(28)26-10-11-29-3)16(2)27(15)22-9-8-21(24)19-6-4-5-7-20(19)22/h4-9,12-13H,10-11H2,1-3H3,(H,26,28)/b18-13+
InChIKey
NQUKOWUICVKVNA-QGOAFFKASA-N
Synonyms

(2E)3(1(4bromonaphthalen1yl)25dimethyl1Hpyrrol3yl)2cyanoN(2methoxyethyl)prop2enamide
(E)3(1(4BROMONAPHTHALEN1YL)25DIMETHYLPYRROL3YL)2CYANON(2METHOXYETHYL)PROP2ENAMIDE
CC1=CC(=C(N1C2=CC=C(C3=CC=CC=C32)Br)C)C=C(C#N)C(=O)NCCOC
COCCNC(=O)C(=Cc1cc(n(c1C)c1ccc(c2c1cccc2)Br)C)C#N
InChI=1SC23H22BrN3O2c1151217(1318(1425)23(28)261011293)16(2)27(15)229821(24)19645720(19)22h491213H1011H213H3(H2628)b1813+
MFCD02314465
ZINC000002810549
ZINC02810549
ZINC2810549

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Available files

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