Vitas-M small molecule compound
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 5-[(4-methylphenyl)amino]-5-oxopentanoate
Catalog ID
STK253699
SMILES O=C(OCC(=O)c1ccc(c(c1)[N+](=O)[O-])C)CCCC(=O)Nc1ccc(cc1)C
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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 C21H22N2O6 MW 398.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O6/c1-14-6-10-17(11-7-14)22-20(25)4-3-5-21(26)29-13-19(24)16-9-8-15(2)18(12-16)23(27)28/h6-12H,3-5,13H2,1-2H3,(H,22,25)InChIKey
YPXASEYNPFBPEF-UHFFFAOYSA-NSynonyms
(2(4METHYL3NITROPHENYL)2OXOETHYL)5(4METHYLANILINO)5OXOPENTANOATE
2(4methyl3nitrophenyl)2oxoethyl5((4methylphenyl)amino)5oxopentanoate
CC1=CC=C(C=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC(=C(C=C2)C)(N+)(=O)(O)
InChI=1SC21H22N2O6c11461017(11714)2220(25)43521(26)291319(24)169815(2)18(1216)23(27)28h612H3513H212H3(H2225)
MFCD02318509
O=C(OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C)CCCC(=O)Nc1ccc(cc1)C
ZINC000004701784
ZINC04701784
ZINC4701784
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