Vitas-M small molecule compound

methyl 4-{(3E)-1-(furan-2-ylmethyl)-3-[hydroxy(3-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate

Catalog ID
STL052250
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2cccc(c2)[N+](=O)[O-])\O)/C(=O)C(=O)N1Cc1ccco1

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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 C24H18N2O8 MW 462.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N2O8/c1-33-24(30)15-9-7-14(8-10-15)20-19(21(27)16-4-2-5-17(12-16)26(31)32)22(28)23(29)25(20)13-18-6-3-11-34-18/h2-12,20,27H,13H2,1H3/b21-19+
InChIKey
MSISJWKNWJGJNO-XUTLUUPISA-N
Synonyms
799808-27-8
799808278
COC(=O)C1=CC=C(C=C1)C2C(=C(C3=CC(=CC=C3)(N+)(=O)(O))O)C(=O)C(=O)N2CC4=CC=CO4
COC(=O)c1ccc(cc1)C1C(=C(c2cccc(c2)(N+)(=O)(O))O)C(=O)C(=O)N1Cc1ccco1
InChI=1SC24H18N2O8c13324(30)159714(81015)2019(21(27)1642517(1216)26(31)32)22(28)23(29)25(20)131863113418h2122027H13H21H3b2119+
methyl4((3E)1(furan2ylmethyl)3(hydroxy(3nitrophenyl)methylidene)45dioxopyrrolidin2yl)benzoate
MFCD05731624
ZINC000102889440
ZINC000102889443

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Available files

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