Vitas-M small molecule compound
2-amino-7,7-dimethyl-4-(3-nitrophenyl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK729747
SMILES N#CC1=C(N)N(C2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)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 C24H21N5O5 MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N5O5/c1-24(2)11-19-22(20(30)12-24)21(14-4-3-5-17(10-14)29(33)34)18(13-25)23(26)27(19)15-6-8-16(9-7-15)28(31)32/h3-10,21H,11-12,26H2,1-2H3InChIKey
GXHMLNCEYAKKKJ-UHFFFAOYSA-NSynonyms
311318-12-42amino77dimethyl4(3nitrophenyl)1(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL4(3NITROPHENYL)1(4NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
311318124
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)(N+)(=O)(O))N)C#N)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC24H21N5O5c124(2)111922(20(30)1224)21(1443517(1014)29(33)34)18(1325)23(26)27(19)156816(9715)28(31)32h31021H111226H212H3
MFCD00826089
N#CC1=C(N)N(C2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C)c1ccc(cc1)(N+)(=O)(O)
ZINC000008404680
ZINC000008404685
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