Vitas-M small molecule compound
bis(2-methoxyethyl) 2,4-diacetyl-2-(3-nitrophenyl)pentanedioate
Catalog ID
STL430461
SMILES COCCOC(=O)C(C(=O)C)CC(c1cccc(c1)[N+](=O)[O-])(C(=O)OCCOC)C(=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 C21H27NO10 MW 453.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO10/c1-14(23)18(19(25)31-10-8-29-3)13-21(15(2)24,20(26)32-11-9-30-4)16-6-5-7-17(12-16)22(27)28/h5-7,12,18H,8-11,13H2,1-4H3InChIKey
NKXVUGDGHABOFX-UHFFFAOYSA-NSynonyms
bis(2methoxyethyl)24diacetyl2(3nitrophenyl)pentanedioate
CC(=O)C(CC(C1=CC(=CC=C1)(N+)(=O)(O))(C(=O)C)C(=O)OCCOC)C(=O)OCCOC
COCCOC(=O)C(C(=O)C)CC(c1cccc(c1)(N+)(=O)(O))(C(=O)OCCOC)C(=O)C
InChI=1SC21H27NO10c114(23)18(19(25)31108293)1321(15(2)2420(26)32119304)1665717(1216)22(27)28h571218H81113H214H3
MFCD30711010
ZINC000227144395
ZINC000227144407
Check stock
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Check stock on Vitas-MAvailable files
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