Vitas-M small molecule compound
diethyl 1-{2-[5-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL175906
SMILES CCOC(=O)c1n(nnc1C(=O)OCC)CC(=O)N1N=C(CC1c1ccc(cc1)[N+](=O)[O-])c1ccccc1
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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 C25H24N6O7 MW 520.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N6O7/c1-3-37-24(33)22-23(25(34)38-4-2)29(28-26-22)15-21(32)30-20(17-10-12-18(13-11-17)31(35)36)14-19(27-30)16-8-6-5-7-9-16/h5-13,20H,3-4,14-15H2,1-2H3InChIKey
MHKBQKNYBMMXNG-UHFFFAOYSA-NSynonyms
438228-63-8438228638
CCOC(=O)C1=C(N(N=N1)CC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OCC
CCOC(=O)c1n(nnc1C(=O)OCC)CC(=O)N1N=C(CC1c1ccc(cc1)(N+)(=O)(O))c1ccccc1
DIETHYL1(2(3(4NITROPHENYL)5PHENYL34DIHYDROPYRAZOL2YL)2OXOETHYL)TRIAZOLE45DICARBOXYLATE
diethyl1(2(5(4nitrophenyl)3phenyl45dihydro1Hpyrazol1yl)2oxoethyl)1H123triazole45dicarboxylate
InChI=1SC25H24N6O7c133724(33)2223(25(34)3842)29(282622)1521(32)3020(17101218(131117)31(35)36)1419(2730)168657916h51320H341415H212H3
MFCD03466723
ZINC000008455174
ZINC000008455175
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