Vitas-M small molecule compound
(E)-[3-methyl-4-(propan-2-yloxy)phenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK566066
SMILES CC(Oc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CCC[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)35-22-8-7-20(16-19(22)3)25(31)23-24(21-6-4-9-28-17-21)30(27(33)26(23)32)11-5-10-29-12-14-34-15-13-29/h4,6-9,16-18,24,31H,5,10-15H2,1-3H3/b25-23+InChIKey
ZCMDZRKGOGOHAH-WJTDDFOZSA-NSynonyms
(4E)4(HYDROXY(3METHYL4PROPAN2YLOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5PYRIDIN3YLPYRROLIDINE23DIONE
(E)(3methyl4(propan2yloxy)phenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)methanolate
(E)(3METHYL4PROPAN2YLOXYPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4(4ISOPROPOXY3METHYLBENZOYL)1(3MORPHOLINOPROPYL)5(PYRIDIN3YL)1HPYRROL2(5H)ONE
CC(Oc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccnc1)CCC(NH+)1CCOCC1)(O))C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CN=CC=C4)(O))OC(C)C
InChI=1SC27H33N3O5c118(2)35228720(1619(22)3)25(31)2324(21649281721)30(27(33)26(23)32)1151029121434151329h46916182431H51015H213H3b2523+
MFCD18244931
ZINC000102377740
ZINC000102377743
Check stock
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Check stock on Vitas-MAvailable files
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