Vitas-M small molecule compound
3-[(3E)-3-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid
Catalog ID
STK193073
SMILES OC(=O)c1cccc(c1)N1C(=O)/C(=C/c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/C=C1c1ccccc1
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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 C28H18N2O6 MW 478.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18N2O6/c31-27-21(16-24-13-14-26(36-24)19-9-11-22(12-10-19)30(34)35)17-25(18-5-2-1-3-6-18)29(27)23-8-4-7-20(15-23)28(32)33/h1-17H,(H,32,33)/b21-16+InChIKey
MDZGIWUHIZMGBM-LTGZKZEYSA-NSynonyms
3((3E)3((5(4NITROPHENYL)FURAN2YL)METHYLIDENE)2OXO5PHENYL23DIHYDRO1HPYRROL1YL)BENZOICACID
3((3E)3((5(4nitrophenyl)furan2yl)methylidene)2oxo5phenylpyrrol1yl)benzoicacid
C1=CC=C(C=C1)C2=CC(=CC3=CC=C(O3)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)N2C5=CC=CC(=C5)C(=O)O
InChI=1SC28H18N2O6c312721(1624131426(3624)1991122(121019)30(34)35)1725(185213618)29(27)2384720(1523)28(32)33h117H(H3233)b2116+
MFCD02379497
OC(=O)c1cccc(c1)N1C(=O)C(=Cc2ccc(o2)c2ccc(cc2)(N+)(=O)(O))C=C1c1ccccc1
ZINC000009933392
ZINC9933392
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