Vitas-M small molecule compound

methyl N-({[(2E)-3-(4-nitrophenyl)prop-2-enoyl]oxy}acetyl)leucinate

Catalog ID
STK126271
SMILES COC(=O)C(NC(=O)COC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])CC(C)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 C18H22N2O7 MW 378.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O7/c1-12(2)10-15(18(23)26-3)19-16(21)11-27-17(22)9-6-13-4-7-14(8-5-13)20(24)25/h4-9,12,15H,10-11H2,1-3H3,(H,19,21)/b9-6+
InChIKey
PEKRSCQRSKEFFN-RMKNXTFCSA-N
Synonyms
359434-69-8
359434698
CC(C)CC(C(=O)OC)NC(=O)COC(=O)C=CC1=CC=C(C=C1)(N+)(=O)(O)
COC(=O)C(NC(=O)COC(=O)C=Cc1ccc(cc1)(N+)(=O)(O))CC(C)C
InChI=1SC18H22N2O7c112(2)1015(18(23)263)1916(21)112717(22)96134714(8513)20(24)25h491215H1011H213H3(H1921)b96+
METHYL4METHYL2((2((E)3(4NITROPHENYL)PROP2ENOYL)OXYACETYL)AMINO)PENTANOATE
METHYLN((((2E)3(4NITROPHENYL)PROP2ENOYL)OXY)ACETYL)LEUCINATE
MFCD00825988
ZINC000004700062
ZINC000004700063

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Available files

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