Vitas-M small molecule compound
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-oxo-4-[(4-phenoxyphenyl)amino]butanoate
Catalog ID
STK274569
SMILES O=C(Nc1ccc(cc1)Oc1ccccc1)CCC(=O)OCC(=O)c1ccc(c(c1)[N+](=O)[O-])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 C25H22N2O7 MW 462.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O7/c1-17-7-8-18(15-22(17)27(31)32)23(28)16-33-25(30)14-13-24(29)26-19-9-11-21(12-10-19)34-20-5-3-2-4-6-20/h2-12,15H,13-14,16H2,1H3,(H,26,29)InChIKey
JPLNYNXYKYRKAZ-UHFFFAOYSA-NSynonyms
(2(4METHYL3NITROPHENYL)2OXOETHYL)4OXO4(4PHENOXYANILINO)BUTANOATE
2(4methyl3nitrophenyl)2oxoethyl4oxo4((4phenoxyphenyl)amino)butanoate
CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)(N+)(=O)(O)
InChI=1SC25H22N2O7c1177818(1522(17)27(31)32)23(28)163325(30)141324(29)261991121(121019)34205324620h21215H131416H21H3(H2629)
MFCD02822607
O=C(Nc1ccc(cc1)Oc1ccccc1)CCC(=O)OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C
ZINC000002856528
ZINC02856528
ZINC2856528
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