Vitas-M small molecule compound

diethyl 4-(4-chloro-3-nitrophenyl)-1-(4-methoxybenzyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK407356
SMILES CCOC(=O)C1=CN(Cc2ccc(cc2)OC)C=C(C1c1ccc(c(c1)[N+](=O)[O-])Cl)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 C25H25ClN2O7 MW 500.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN2O7/c1-4-34-24(29)19-14-27(13-16-6-9-18(33-3)10-7-16)15-20(25(30)35-5-2)23(19)17-8-11-21(26)22(12-17)28(31)32/h6-12,14-15,23H,4-5,13H2,1-3H3
InChIKey
FXHYJHJIGCPWLN-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CN(C=C(C1C2=CC(=C(C=C2)Cl)(N+)(=O)(O))C(=O)OCC)CC3=CC=C(C=C3)OC
CCOC(=O)C1=CN(Cc2ccc(cc2)OC)C=C(C1c1ccc(c(c1)(N+)(=O)(O))Cl)C(=O)OCC
DIETHYL4(4CHLORO3NITROPHENYL)1((4METHOXYPHENYL)METHYL)4HPYRIDINE35DICARBOXYLATE
diethyl4(4chloro3nitrophenyl)1(4methoxybenzyl)14dihydropyridine35dicarboxylate
ETHYL4(4CHLORO3NITROPHENYL)5(ETHOXYCARBONYL)1((4METHOXYPHENYL)METHYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC25H25ClN2O7c143424(29)191427(13166918(333)10716)1520(25(30)3552)23(19)1781121(26)22(1217)28(31)32h612141523H4513H213H3
MFCD04057011
ZINC000002805674
ZINC02805674
ZINC2805674

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Available files

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