Vitas-M small molecule compound

diethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1-(tetrahydrofuran-2-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK406953
SMILES CCOC(=O)C1=CN(CC2CCCO2)C=C(C1c1cc(OC)c(c(c1)[N+](=O)[O-])O)C(=O)OCC

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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 C23H28N2O9 MW 476.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O9/c1-4-32-22(27)16-12-24(11-15-7-6-8-34-15)13-17(23(28)33-5-2)20(16)14-9-18(25(29)30)21(26)19(10-14)31-3/h9-10,12-13,15,20,26H,4-8,11H2,1-3H3
InChIKey
UHLRNWDDAIOTPB-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CN(C=C(C1C2=CC(=C(C(=C2)OC)O)(N+)(=O)(O))C(=O)OCC)CC3CCCO3
CCOC(=O)C1=CN(CC2CCCO2)C=C(C1c1cc(OC)c(c(c1)(N+)(=O)(O))O)C(=O)OCC
DIETHYL4(4HYDROXY3METHOXY5NITROPHENYL)1(OXOLAN2YLMETHYL)4HPYRIDINE35DICARBOXYLATE
diethyl4(4hydroxy3methoxy5nitrophenyl)1(tetrahydrofuran2ylmethyl)14dihydropyridine35dicarboxylate
ETHYL5(ETHOXYCARBONYL)4(4HYDROXY5METHOXY3NITROPHENYL)1(OXOLAN2YLMETHYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC23H28N2O9c143222(27)161224(11157683415)1317(23(28)3352)20(16)14918(25(29)30)21(26)19(1014)313h9101213152026H4811H213H3
MFCD06007313
ZINC000016447425
ZINC000016447427

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Available files

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