Vitas-M small molecule compound

ethyl 2-amino-1-(4-nitrophenyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK755923
SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CCC2)c1ccc(cc1)[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 C27H29N3O8 MW 523.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O8/c1-5-38-27(32)24-22(15-13-20(35-2)25(37-4)21(14-15)36-3)23-18(7-6-8-19(23)31)29(26(24)28)16-9-11-17(12-10-16)30(33)34/h9-14,22H,5-8,28H2,1-4H3
InChIKey
UEDRDMZMLFKUMK-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N(C2=C(C1C3=CC(=C(C(=C3)OC)OC)OC)C(=O)CCC2)C4=CC=C(C=C4)(N+)(=O)(O))N
CCOC(=O)C1=C(N)N(C2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CCC2)c1ccc(cc1)(N+)(=O)(O)
ethyl2amino1(4nitrophenyl)5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
ethyl2amino1(4nitrophenyl)5oxo4(345trimethoxyphenyl)4678tetrahydroquinoline3carboxylate
InChI=1SC27H29N3O8c153827(32)2422(151320(352)25(374)21(1415)363)2318(76819(23)31)29(26(24)28)1691117(121016)30(33)34h91422H5828H214H3
MFCD01240323
ZINC000008442983
ZINC000008442985

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.