Vitas-M small molecule compound

(2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile

Catalog ID
STK140950
SMILES N#C/C(=C/c1cc(n(c1C)c1ccncc1)C)/c1ccc(cc1)[N+](=O)[O-]

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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 C20H16N4O2 MW 344.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O2/c1-14-11-17(15(2)23(14)19-7-9-22-10-8-19)12-18(13-21)16-3-5-20(6-4-16)24(25)26/h3-12H,1-2H3/b18-12-
InChIKey
DRFCAAALSMNZPO-PDGQHHTCSA-N
Synonyms

(2E)3(25DIMETHYL1(PYRIDIN4YL)1HPYRROL3YL)2(4NITROPHENYL)PROP2ENENITRILE
(E)3(25DIMETHYL1PYRIDIN4YLPYRROL3YL)2(4NITROPHENYL)PROP2ENENITRILE
CC1=CC(=C(N1C2=CC=NC=C2)C)C=C(C#N)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC20H16N4O2c1141117(15(2)23(14)19792210819)1218(1321)163520(6416)24(25)26h312H12H3b1812
MFCD04338398
N#CC(=Cc1cc(n(c1C)c1ccncc1)C)c1ccc(cc1)(N+)(=O)(O)
ZINC000006429549
ZINC13067943
ZINC6429549

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Available files

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