Vitas-M small molecule compound

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

Catalog ID
STK005665
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1[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 C22H24N2O7 MW 428.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O7/c1-5-29-21(26)18-11(2)23-13-8-22(3,4)9-15(25)20(13)19(18)12-6-16-17(31-10-30-16)7-14(12)24(27)28/h6-7,19,23H,5,8-10H2,1-4H3
InChIKey
AJPZQZSDRCNVBV-UHFFFAOYSA-N
Synonyms
292855-61-9
292855619
CCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CC(C2)(C)C
CCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)CC(C2)(C)C)C
ethyl277trimethyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
ethyl277trimethyl4(6nitro13benzodioxol5yl)5oxo1468tetrahydroquinoline3carboxylate
ethyl277trimethyl4(6nitrobenzo(d)(13)dioxol5yl)5oxo145678hexahydroquinoline3carboxylate
InChI=1SC22H24N2O7c152921(26)1811(2)2313822(34)915(25)20(13)19(18)1261617(31103016)714(12)24(27)28h671923H5810H214H3
MFCD00337774
STK005665
ZINC000019300861
ZINC000019300862

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Available files

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