Vitas-M small molecule compound

1-(cyclopropylcarbonyl)-2-(3-nitrophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Catalog ID
STK527090
SMILES N#CC1(C#N)C(c2cccc(c2)[N+](=O)[O-])C(N2C1C=Cc1c2cccc1)C(=O)C1CC1

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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 C24H18N4O3 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N4O3/c25-13-24(14-26)20-11-10-15-4-1-2-7-19(15)27(20)22(23(29)16-8-9-16)21(24)17-5-3-6-18(12-17)28(30)31/h1-7,10-12,16,20-22H,8-9H2
InChIKey
WHNVCGGPGNULAM-UHFFFAOYSA-N
Synonyms
302326-22-3
(1R2R3AS)1(CYCLOPROPYLCARBONYL)2(3NITROPHENYL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
1(cyclopropanecarbonyl)2(3nitrophenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
1(CYCLOPROPANECARBONYL)2(3NITROPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
1(cyclopropylcarbonyl)2(3nitrophenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
302326223
C1CC1C(=O)C2C(C(C3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC24H18N4O3c251324(1426)20111015412719(15)27(20)22(23(29)168916)21(24)1753618(1217)28(30)31h171012162022H89H2
MFCD00559170
N#CC1(C#N)C(c2cccc(c2)(N+)(=O)(O))C(N2C1C=Cc1c2cccc1)C(=O)C1CC1
ZINC000013510144
ZINC000102666043

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Available files

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