Vitas-M small molecule compound
dibenzyl 4-[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK821073
SMILES COc1ccc(cc1[N+](=O)[O-])c1nn(cc1C1C(=C(C)NC(=C1C(=O)OCc1ccccc1)C)C(=O)OCc1ccccc1)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 C39H34N4O7 MW 670.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H34N4O7/c1-25-34(38(44)49-23-27-13-7-4-8-14-27)36(35(26(2)40-25)39(45)50-24-28-15-9-5-10-16-28)31-22-42(30-17-11-6-12-18-30)41-37(31)29-19-20-33(48-3)32(21-29)43(46)47/h4-22,36,40H,23-24H2,1-3H3InChIKey
YNSXHVYVHBIGTD-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CN(N=C3C4=CC(=C(C=C4)OC)(N+)(=O)(O))C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6
COc1ccc(cc1(N+)(=O)(O))c1nn(cc1C1C(=C(C)NC(=C1C(=O)OCc1ccccc1)C)C(=O)OCc1ccccc1)c1ccccc1
dibenzyl4(3(4methoxy3nitrophenyl)1phenyl1Hpyrazol4yl)26dimethyl14dihydropyridine35dicarboxylate
DIBENZYL4(3(4METHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)26DIMETHYL14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC39H34N4O7c12534(38(44)492327137481427)36(35(26(2)4025)39(45)5024281595101628)312242(3017116121830)4137(31)29192033(483)32(2129)43(46)47h4223640H2324H213H3
MFCD03088672
ZINC000150473958
ZINC150473958
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