Vitas-M small molecule compound
diethyl 4-(4-methyl-3-nitrophenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK002328
SMILES CCOC(=O)C1=CN(C=C(C1c1ccc(c(c1)[N+](=O)[O-])C)C(=O)OCC)C(C)C
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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 C21H26N2O6 MW 402.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O6/c1-6-28-20(24)16-11-22(13(3)4)12-17(21(25)29-7-2)19(16)15-9-8-14(5)18(10-15)23(26)27/h8-13,19H,6-7H2,1-5H3InChIKey
KDLLBDKKECWSDQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CN(C=C(C1c1ccc(c(c1)(N+)(=O)(O))C)C(=O)OCC)C(C)C
CCOC(=O)C1=CN(C=C(C1C2=CC(=C(C=C2)C)(N+)(=O)(O))C(=O)OCC)C(C)C
DIETHYL4(4METHYL3NITROPHENYL)1(PROPAN2YL)14DIHYDROPYRIDINE35DICARBOXYLATE
DIETHYL4(4METHYL3NITROPHENYL)1PROPAN2YL4HPYRIDINE35DICARBOXYLATE
ETHYL5(ETHOXYCARBONYL)1(METHYLETHYL)4(4METHYL3NITROPHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC21H26N2O6c162820(24)161122(13(3)4)1217(21(25)2972)19(16)159814(5)18(1015)23(26)27h81319H67H215H3
MFCD03489550
STK002328
ZINC000002796883
ZINC02796883
ZINC2796883
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