Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK959093
SMILES N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1cc(ccc1C)[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 C24H20N4O5 MW 444.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O5/c1-13-5-7-15(28(30)31)10-18(13)27-17-3-2-4-19(29)23(17)22(16(11-25)24(27)26)14-6-8-20-21(9-14)33-12-32-20/h5-10,22H,2-4,12,26H2,1H3InChIKey
CXJMOBVRVGEPFV-UHFFFAOYSA-NSynonyms
438528-90-62amino4(13benzodioxol5yl)1(2methyl5nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(13benzodioxol5yl)1(2methyl5nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
438528906
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C3=C(C(C(=C2N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)CCC3
InChI=1SC24H20N4O5c1135715(28(30)31)1018(13)271732419(29)23(17)22(16(1125)24(27)26)14682021(914)33123220h51022H241226H21H3
MFCD02174732
N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1cc(ccc1C)(N+)(=O)(O)
ZINC000002753990
ZINC000002753991
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