Vitas-M small molecule compound
2-amino-7,7-dimethyl-1,4-bis(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL062204
SMILES N#CC1=C(N)N(c2ccc(cc2)[N+](=O)[O-])C2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)(C)C
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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(14-3-5-16(6-4-14)28(31)32)18(13-25)23(26)27(19)15-7-9-17(10-8-15)29(33)34/h3-10,21H,11-12,26H2,1-2H3InChIKey
YCILLVPAVQRPEA-UHFFFAOYSA-NSynonyms
716335-54-52amino77dimethyl14bis(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL14BIS(4NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
716335545
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)(N+)(=O)(O))N)C#N)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC24H21N5O5c124(2)111922(20(30)1224)21(143516(6414)28(31)32)18(1325)23(26)27(19)157917(10815)29(33)34h31021H111226H212H3
MFCD01233619
N#CC1=C(N)N(c2ccc(cc2)(N+)(=O)(O))C2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)(C)C
ZINC000009009522
ZINC000009009523
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