Vitas-M small molecule compound
(E)-{4,5-dioxo-2-[4-(propan-2-yl)phenyl]-1-(pyridinium-2-yl)pyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STL045992
SMILES CC(Oc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)c1cccc[nH+]1)/[O-])C
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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 C28H28N2O4 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O4/c1-17(2)19-8-10-20(11-9-19)25-24(26(31)21-12-14-22(15-13-21)34-18(3)4)27(32)28(33)30(25)23-7-5-6-16-29-23/h5-18,25,31H,1-4H3/b26-24+InChIKey
YXQPCRDTJWLCKS-SHHOIMCASA-NSynonyms
371116-66-4(4E)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)5(4PROPAN2YLPHENYL)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(45dioxo2(4(propan2yl)phenyl)1(pyridinium2yl)pyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
371116664
3HYDROXY4((4(METHYLETHOXY)PHENYL)CARBONYL)5(4(METHYLETHYL)PHENYL)1(2PYRIDYL)3PYRROLIN2ONE
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC(C)C)O)C(=O)C(=O)N2C4=CC=CC=N4
CC(Oc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)c1cccc(nH+)1)(O))C
InChI=1SC28H28N2O4c117(2)1981020(11919)2524(26(31)21121422(151321)3418(3)4)27(32)28(33)30(25)23756162923h5182531H14H3b2624+
MFCD18248757
ZINC000102368663
ZINC000102368667
Check stock
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