Vitas-M small molecule compound
1-(biphenyl-4-yl)-1-oxohexan-2-yl 3-nitrobenzoate
Catalog ID
STL002591
SMILES CCCCC(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)c1cccc(c1)[N+](=O)[O-]
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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 C25H23NO5 MW 417.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23NO5/c1-2-3-12-23(31-25(28)21-10-7-11-22(17-21)26(29)30)24(27)20-15-13-19(14-16-20)18-8-5-4-6-9-18/h4-11,13-17,23H,2-3,12H2,1H3InChIKey
JGXXYRKJFWKFHL-UHFFFAOYSA-NSynonyms
352642-84-3(1OXO1(4PHENYLPHENYL)HEXAN2YL)3NITROBENZOATE
1((11biphenyl)4yl)1oxohexan2yl3nitrobenzoate
1(biphenyl4yl)1oxohexan2yl3nitrobenzoate
352642843
CCCCC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCCCC(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC25H23NO5c1231223(3125(28)211071122(1721)26(29)30)24(27)20151319(141620)188546918h411131723H2312H21H3
MFCD01624022
ZINC000002249265
ZINC000002249266
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