Vitas-M small molecule compound

(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[3-(morpholin-4-yl)propyl]-5-(3-nitrophenyl)pyrrolidine-2,3-dione

Catalog ID
STK607404
SMILES O/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CCCN1CCOCC1)/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 C26H27N3O8 MW 509.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O8/c30-24(18-5-6-20-21(16-18)37-14-13-36-20)22-23(17-3-1-4-19(15-17)29(33)34)28(26(32)25(22)31)8-2-7-27-9-11-35-12-10-27/h1,3-6,15-16,23,30H,2,7-14H2/b24-22+
InChIKey
DPDGPEHYIAUAIG-ZNTNEXAZSA-N
Synonyms
618408-70-1
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(3(morpholin4yl)propyl)5(3nitrophenyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
4(2H3HBENZO(34E)14DIOXAN6YLCARBONYL)3HYDROXY1(3MORPHOLIN4YLPROPYL)5(3NITROPHENYL)3PYRROLIN2ONE
618408701
C1COCCN1CCCN2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC26H27N3O8c3024(18562021(1618)3714133620)2223(1731419(1517)29(33)34)28(26(32)25(22)31)8272791135121027h13615162330H2714H2b2422+
MFCD08736969
OC(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CCCN1CCOCC1)c1ccc2c(c1)OCCO2
ZINC000008744113
ZINC000102702793

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Available files

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