Vitas-M small molecule compound
2-amino-7,7-dimethyl-1,4-bis(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754561
SMILES N#CC1=C(N)N(C2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)C)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 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(14-5-3-7-16(9-14)28(31)32)18(13-25)23(26)27(19)15-6-4-8-17(10-15)29(33)34/h3-10,21H,11-12,26H2,1-2H3InChIKey
ROKVOYRPRIUAGR-UHFFFAOYSA-NSynonyms
311318-24-82amino77dimethyl14bis(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL14BIS(3NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
311318248
CC1(CC2=C(C(C(=C(N2C3=CC(=CC=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(1453716(914)28(31)32)18(1325)23(26)27(19)1564817(1015)29(33)34h31021H111226H212H3
MFCD00826113
N#CC1=C(N)N(C2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C)c1cccc(c1)(N+)(=O)(O)
ZINC000001876083
ZINC000001876084
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