Vitas-M small molecule compound
dibenzyl 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK861998
SMILES CC1=C(C(=O)OCc2ccccc2)C(C(=C(N1)C)C(=O)OCc1ccccc1)c1cn(nc1c1ccc(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 C38H32N4O6 MW 640.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H32N4O6/c1-25-33(37(43)47-23-27-12-6-3-7-13-27)35(34(26(2)39-25)38(44)48-24-28-14-8-4-9-15-28)32-22-41(30-16-10-5-11-17-30)40-36(32)29-18-20-31(21-19-29)42(45)46/h3-22,35,39H,23-24H2,1-2H3InChIKey
KJIKCPBRUPBLGV-UHFFFAOYSA-NSynonyms
CC1=C(C(=O)OCc2ccccc2)C(C(=C(N1)C)C(=O)OCc1ccccc1)c1cn(nc1c1ccc(cc1)(N+)(=O)(O))c1ccccc1
CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CN(N=C3C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6
dibenzyl26dimethyl4(3(4nitrophenyl)1phenyl1Hpyrazol4yl)14dihydropyridine35dicarboxylate
DIBENZYL26DIMETHYL4(3(4NITROPHENYL)1PHENYLPYRAZOL4YL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC38H32N4O6c12533(37(43)472327126371327)35(34(26(2)3925)38(44)482428148491528)322241(3016105111730)4036(32)29182031(211929)42(45)46h3223539H2324H212H3
MFCD01794329
ZINC000150441449
ZINC150441449
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