Vitas-M small molecule compound

dimethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK405317
SMILES COC(=O)C1=CN(CCc2ccc(c(c2)OC)OC)C=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)OC

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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 C25H26N2O8 MW 482.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O8/c1-32-21-10-5-16(13-22(21)33-2)11-12-26-14-19(24(28)34-3)23(20(15-26)25(29)35-4)17-6-8-18(9-7-17)27(30)31/h5-10,13-15,23H,11-12H2,1-4H3
InChIKey
RKWATPUGSSGANV-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CN(CCc2ccc(c(c2)OC)OC)C=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)OC
COC1=C(C=C(C=C1)CCN2C=C(C(C(=C2)C(=O)OC)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)OC)OC
dimethyl1(2(34dimethoxyphenyl)ethyl)4(4nitrophenyl)14dihydropyridine35dicarboxylate
DIMETHYL1(2(34DIMETHOXYPHENYL)ETHYL)4(4NITROPHENYL)4HPYRIDINE35DICARBOXYLATE
InChI=1SC25H26N2O8c1322110516(1322(21)332)1112261419(24(28)343)23(20(1526)25(29)354)176818(9717)27(30)31h510131523H1112H214H3
METHYL1(2(34DIMETHOXYPHENYL)ETHYL)5(METHOXYCARBONYL)4(4NITROPHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
MFCD03999387
ZINC000001141016
ZINC01141016
ZINC1141016

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Available files

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