Vitas-M small molecule compound

{1-[(1Z)-1-(furan-2-yl)-3-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]pyridin-2(1H)-ylidene}propanedinitrile

Catalog ID
STK633603
SMILES N#CC(=c1ccccn1/C(=C\c1ccco1)/C(=O)c1ccc(cc1)[N+](=O)[O-])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 C21H12N4O4 MW 384.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12N4O4/c22-13-16(14-23)19-5-1-2-10-24(19)20(12-18-4-3-11-29-18)21(26)15-6-8-17(9-7-15)25(27)28/h1-12H/b20-12-
InChIKey
BPYHZNHKYXPCEA-NDENLUEZSA-N
Synonyms
370873-20-4
(1((1Z)1(furan2yl)3(4nitrophenyl)3oxoprop1en2yl)pyridin2(1H)ylidene)propanedinitrile
(Z)2(1(1(furan2yl)3(4nitrophenyl)3oxoprop1en2yl)pyridin2(1H)ylidene)malononitrile
2(1((Z)1(FURAN2YL)3(4NITROPHENYL)3OXOPROP1EN2YL)PYRIDIN2YLIDENE)PROPANEDINITRILE
370873204
C1=CC(=C(C#N)C#N)N(C=C1)C(=CC2=CC=CO2)C(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC21H12N4O4c221316(1423)195121024(19)20(121843112918)21(26)156817(9715)25(27)28h112Hb2012
MFCD01551929
N#CC(=c1ccccn1C(=Cc1ccco1)C(=O)c1ccc(cc1)(N+)(=O)(O))C#N
ZINC000004752144
ZINC04752144
ZINC4752144

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.