Vitas-M small molecule compound
(E)-[2-(3-bromophenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](4-methoxyphenyl)methanolate
Catalog ID
STL040291
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)c1cccc[nH+]1)/[O-]
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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 C23H17BrN2O4 MW 465.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrN2O4/c1-30-17-10-8-14(9-11-17)21(27)19-20(15-5-4-6-16(24)13-15)26(23(29)22(19)28)18-7-2-3-12-25-18/h2-13,20,27H,1H3/b21-19+InChIKey
ZRTSSALQRNOJPI-XUTLUUPISA-NSynonyms
(4E)5(3BROMOPHENYL)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(2(3bromophenyl)45dioxo1(pyridinium2yl)pyrrolidin3ylidene)(4methoxyphenyl)methanolate
5(3BROMOPHENYL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)1(2PYRIDYL)3PYRROLIN2ONE
COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC(=CC=C4)Br)O
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Br)c1cccc(nH+)1)(O)
InChI=1SC23H17BrN2O4c1301710814(91117)21(27)1920(1554616(24)1315)26(23(29)22(19)28)18723122518h2132027H1H3b2119+
MFCD18248002
ZINC000102865849
ZINC000102865851
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