Vitas-M small molecule compound
diethyl 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK809072
SMILES CCOC(=O)C1=C(C)NC(=C(C1c1cn(nc1c1ccc(cc1)[N+](=O)[O-])c1ccccc1)C(=O)OCC)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 C28H28N4O6 MW 516.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O6/c1-5-37-27(33)23-17(3)29-18(4)24(28(34)38-6-2)25(23)22-16-31(20-10-8-7-9-11-20)30-26(22)19-12-14-21(15-13-19)32(35)36/h7-16,25,29H,5-6H2,1-4H3InChIKey
TWLJRCWUIKSLLT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC(=C(C1c1cn(nc1c1ccc(cc1)(N+)(=O)(O))c1ccccc1)C(=O)OCC)C
CCOC(=O)C1=C(NC(=C(C1C2=CN(N=C2C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4)C(=O)OCC)C)C
diethyl26dimethyl4(3(4nitrophenyl)1phenyl1Hpyrazol4yl)14dihydropyridine35dicarboxylate
DIETHYL26DIMETHYL4(3(4NITROPHENYL)1PHENYLPYRAZOL4YL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC28H28N4O6c153727(33)2317(3)2918(4)24(28(34)3862)25(23)221631(20108791120)3026(22)19121421(151319)32(35)36h7162529H56H214H3
MFCD03461185
ZINC000001449310
ZINC01449310
ZINC1449310
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