Vitas-M small molecule compound
2-(4-methylphenyl)-2-oxoethyl (2E)-3-(4-nitrophenyl)prop-2-enoate
Catalog ID
STL477094
SMILES O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])OCC(=O)c1ccc(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 C18H15NO5 MW 325.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15NO5/c1-13-2-7-15(8-3-13)17(20)12-24-18(21)11-6-14-4-9-16(10-5-14)19(22)23/h2-11H,12H2,1H3/b11-6+InChIKey
APQVEHZNHDPBPS-IZZDOVSWSA-NSynonyms
481009-04-5(2(4METHYLPHENYL)2OXOETHYL)(E)3(4NITROPHENYL)PROP2ENOATE
2(4methylphenyl)2oxoethyl(2E)3(4nitrophenyl)prop2enoate
481009045
CC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC18H15NO5c1132715(8313)17(20)122418(21)116144916(10514)19(22)23h211H12H21H3b116+
MFCD03197209
O=C(C=Cc1ccc(cc1)(N+)(=O)(O))OCC(=O)c1ccc(cc1)C
ZINC000000312810
ZINC00312810
ZINC312810
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