Vitas-M small molecule compound

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

Catalog ID
STK116469
SMILES COc1ccc(cc1)CN1C=C(C(=O)OC)C(C(=C1)C(=O)OC)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 C23H22N2O7 MW 438.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O7/c1-30-18-10-4-15(5-11-18)12-24-13-19(22(26)31-2)21(20(14-24)23(27)32-3)16-6-8-17(9-7-16)25(28)29/h4-11,13-14,21H,12H2,1-3H3
InChIKey
UCNKUGXNMACTQT-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)CN2C=C(C(C(=C2)C(=O)OC)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)OC
COc1ccc(cc1)CN1C=C(C(=O)OC)C(C(=C1)C(=O)OC)c1ccc(cc1)(N+)(=O)(O)
DIMETHYL1((4METHOXYPHENYL)METHYL)4(4NITROPHENYL)4HPYRIDINE35DICARBOXYLATE
DIMETHYL1(4METHOXYBENZYL)4(4NITROPHENYL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC23H22N2O7c1301810415(51118)12241319(22(26)312)21(20(1424)23(27)323)166817(9716)25(28)29h411131421H12H213H3
MFCD03632737
ZINC000001141448
ZINC01141448
ZINC1141448

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Available files

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