Vitas-M small molecule compound

methyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK372234
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CC(C2)c1ccccc1

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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 C25H22N2O7 MW 462.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O7/c1-13-22(25(29)32-2)23(16-10-20-21(34-12-33-20)11-18(16)27(30)31)24-17(26-13)8-15(9-19(24)28)14-6-4-3-5-7-14/h3-7,10-11,15,23,26H,8-9,12H2,1-2H3
InChIKey
NZPHKKVBAAJIFK-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4(N+)(=O)(O))OCO5)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CC(C2)c1ccccc1
InChI=1SC25H22N2O7c11322(25(29)322)23(16102021(34123320)1118(16)27(30)31)2417(2613)815(919(24)28)146435714h371011152326H8912H212H3
methyl2methyl4(6nitro13benzodioxol5yl)5oxo7phenyl145678hexahydroquinoline3carboxylate
methyl2methyl4(6nitro13benzodioxol5yl)5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
MFCD00614968
ZINC000022611866
ZINC000022611872

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Available files

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