Vitas-M small molecule compound
(E)-[3-methyl-4-(2-methylpropoxy)phenyl]{1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK564666
SMILES CC(COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CC[NH+]1CCOCC1)/[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 C27H33N3O5 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O5/c1-18(2)17-35-22-7-6-20(15-19(22)3)25(31)23-24(21-5-4-8-28-16-21)30(27(33)26(23)32)10-9-29-11-13-34-14-12-29/h4-8,15-16,18,24,31H,9-14,17H2,1-3H3/b25-23+InChIKey
AJPSIKMMBUXIQG-WJTDDFOZSA-NSynonyms
(4E)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5PYRIDIN3YLPYRROLIDINE23DIONE
(E)(3methyl4(2methylpropoxy)phenyl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)methanolate
(E)(3METHYL4(2METHYLPROPOXY)PHENYL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)METHANOLATE
CC(COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccnc1)CC(NH+)1CCOCC1)(O))C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CN=CC=C4)(O))OCC(C)C
InChI=1SC27H33N3O5c118(2)1735227620(1519(22)3)25(31)2324(21548281621)30(27(33)26(23)32)10929111334141229h481516182431H91417H213H3b2523+
MFCD18244588
ZINC000102175570
ZINC000102175573
Check stock
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Check stock on Vitas-MAvailable files
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