Vitas-M small molecule compound
(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene][3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL045112
SMILES CC(COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)Cc1ccc[nH+]c1)/[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 C27H27N3O4 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4/c1-17(2)16-34-22-9-8-20(12-18(22)3)25(31)23-24(21-7-5-11-29-14-21)30(27(33)26(23)32)15-19-6-4-10-28-13-19/h4-14,17,24,31H,15-16H2,1-3H3/b25-23+InChIKey
DKIZLBWBNSUYSQ-WJTDDFOZSA-NSynonyms
459794-15-1(4E)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5PYRIDIN3YL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2PYRIDIN3YLPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
(E)(45dioxo1(pyridinium3ylmethyl)2(pyridin3yl)pyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
3HYDROXY4((3METHYL4(2METHYLPROPOXY)PHENYL)CARBONYL)5(3PYRIDYL)1(3PYRIDYLMETHYL)3PYRROLIN2ONE
459794151
CC(COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccnc1)Cc1ccc(nH+)c1)(O))C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CN=CC=C4)(O))OCC(C)C
InChI=1SC27H27N3O4c117(2)1634229820(1218(22)3)25(31)2324(217511291421)30(27(33)26(23)32)15196410281319h414172431H1516H213H3b2523+
MFCD18248566
ZINC000102175576
ZINC000102175580
Check stock
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Check stock on Vitas-MAvailable files
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