Vitas-M small molecule compound
2-amino-1-(4-ethoxy-2-nitrophenyl)-4-(4-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174540
SMILES CCOc1ccc(c(c1)[N+](=O)[O-])N1C(=C(C#N)C(C2=C1CC(CC2=O)c1ccccc1)c1ccc(cc1)C)N
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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 C31H28N4O4 MW 520.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O4/c1-3-39-23-13-14-25(26(17-23)35(37)38)34-27-15-22(20-7-5-4-6-8-20)16-28(36)30(27)29(24(18-32)31(34)33)21-11-9-19(2)10-12-21/h4-14,17,22,29H,3,15-16,33H2,1-2H3InChIKey
MVELHYCXIJRZAD-UHFFFAOYSA-NSynonyms
514855-86-82amino1(4ethoxy2nitrophenyl)4(4methylphenyl)5oxo7phenyl145678hexahydroquinoline3carbonitrile
2amino1(4ethoxy2nitrophenyl)4(4methylphenyl)5oxo7phenyl4678tetrahydroquinoline3carbonitrile
514855868
CCOC1=CC(=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)C)C(=O)CC(C3)C5=CC=CC=C5)(N+)(=O)(O)
CCOc1ccc(c(c1)(N+)(=O)(O))N1C(=C(C#N)C(C2=C1CC(CC2=O)c1ccccc1)c1ccc(cc1)C)N
InChI=1SC31H28N4O4c133923131425(26(1723)35(37)38)34271522(207546820)1628(36)30(27)29(24(1832)31(34)33)2111919(2)101221h414172229H3151633H212H3
MFCD02606832
ZINC000008456158
ZINC000008456161
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