Vitas-M small molecule compound
methyl 4-{bis[5-hydroxy-1-(4-nitrophenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}benzoate
Catalog ID
STL582785
SMILES COC(=O)c1ccc(cc1)C(c1c(nn(c1O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1)c1c(nn(c1O)c1ccc(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 C39H28N6O8 MW 708.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H28N6O8/c1-53-39(48)27-14-12-24(13-15-27)32(33-35(25-8-4-2-5-9-25)40-42(37(33)46)28-16-20-30(21-17-28)44(49)50)34-36(26-10-6-3-7-11-26)41-43(38(34)47)29-18-22-31(23-19-29)45(51)52/h2-23,32,46-47H,1H3InChIKey
AEKKVIOERILIPJ-UHFFFAOYSA-NSynonyms
InChI=1SC39H28N6O8c15339(48)27141224(131527)32(3335(258425925)4042(37(33)46)28162030(211728)44(49)50)3436(26106371126)4143(38(34)47)29182231(231929)45(51)52h223324647H1H3
methyl4(bis(5hydroxy1(4nitrophenyl)3phenyl1Hpyrazol4yl)methyl)benzoate
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