Vitas-M small molecule compound

6-{(3E)-2-(4-bromophenyl)-3-[hydroxy(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}hexanoic acid

Catalog ID
STL149272
SMILES OC(=O)CCCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)[N+](=O)[O-])/O)/C1c1ccc(cc1)Br

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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 C23H21BrN2O7 MW 517.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN2O7/c24-16-9-5-14(6-10-16)20-19(21(29)15-7-11-17(12-8-15)26(32)33)22(30)23(31)25(20)13-3-1-2-4-18(27)28/h5-12,20,29H,1-4,13H2,(H,27,28)/b21-19+
InChIKey
AILVOOXWPPZMKU-XUTLUUPISA-N
Synonyms
440091-80-5
440091805
6((3E)2(4bromophenyl)3(hydroxy(4nitrophenyl)methylidene)45dioxopyrrolidin1yl)hexanoicacid
C1=CC(=CC=C1C2C(=C(C3=CC=C(C=C3)(N+)(=O)(O))O)C(=O)C(=O)N2CCCCCC(=O)O)Br
InChI=1SC23H21BrN2O7c24169514(61016)2019(21(29)1571117(12815)26(32)33)22(30)23(31)25(20)13312418(27)28h5122029H1413H2(H2728)b2119+
MFCD03818303
OC(=O)CCCCCN1C(=O)C(=O)C(=C(c2ccc(cc2)(N+)(=O)(O))O)C1c1ccc(cc1)Br
ZINC000009333891
ZINC000009339629

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Available files

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