Vitas-M small molecule compound
(4E)-1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STL054143
SMILES O/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])Cc1ccccc1)/c1ccc2c(c1)OCCO2
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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 C26H20N2O7 MW 472.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O7/c29-24(18-9-10-20-21(14-18)35-12-11-34-20)22-23(17-7-4-8-19(13-17)28(32)33)27(26(31)25(22)30)15-16-5-2-1-3-6-16/h1-10,13-14,23,29H,11-12,15H2/b24-22+InChIKey
UGOJQUYTQBMXBW-ZNTNEXAZSA-NSynonyms
(4E)1benzyl4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3nitrophenyl)pyrrolidine23dione
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=CC=C4)C5=CC(=CC=C5)(N+)(=O)(O))O
InChI=1SC26H20N2O7c2924(189102021(1418)3512113420)2223(1774819(1317)28(32)33)27(26(31)25(22)30)15165213616h11013142329H111215H2b2422+
MFCD05734400
OC(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))Cc1ccccc1)c1ccc2c(c1)OCCO2
ZINC000102892721
ZINC000102892724
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