Vitas-M small molecule compound

2-amino-1,4-bis(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK754044
SMILES N#CC1=C(N)N(C2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CCC2)c1cccc(c1)[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 C22H17N5O5 MW 431.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5O5/c23-12-17-20(13-4-1-6-15(10-13)26(29)30)21-18(8-3-9-19(21)28)25(22(17)24)14-5-2-7-16(11-14)27(31)32/h1-2,4-7,10-11,20H,3,8-9,24H2
InChIKey
PVTRSCRHYDFGNM-UHFFFAOYSA-N
Synonyms
311332-78-2
2amino14bis(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino14bis(3nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
311332782
C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)(N+)(=O)(O))N)C#N)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)C1
InChI=1SC22H17N5O5c23121720(1341615(1013)26(29)30)2118(83919(21)28)25(22(17)24)1452716(1114)27(31)32h1247101120H38924H2
MFCD00825007
N#CC1=C(N)N(C2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CCC2)c1cccc(c1)(N+)(=O)(O)
ZINC000002187639
ZINC000002187640

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Available files

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