Vitas-M small molecule compound
(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-4-yl)pyrrolidin-3-ylidene][2-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL147753
SMILES CC(COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)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)16-34-21-6-7-22(18(3)13-21)25(31)23-24(20-8-11-28-12-9-20)30(27(33)26(23)32)15-19-5-4-10-29-14-19/h4-14,17,24,31H,15-16H2,1-3H3/b25-23+InChIKey
XCCWGFSQRPTHEJ-WJTDDFOZSA-NSynonyms
(4E)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5PYRIDIN4YL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2PYRIDIN4YLPYRROLIDIN3YLIDENE)(2METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
(E)(45dioxo1(pyridinium3ylmethyl)2(pyridin4yl)pyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
CC(COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccncc1)Cc1ccc(nH+)c1)(O))C
CC1=C(C=CC(=C1)OCC(C)C)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=NC=C4)O
InChI=1SC27H27N3O4c117(2)1634216722(18(3)1321)25(31)2324(208112812920)30(27(33)26(23)32)15195410291419h414172431H1516H213H3b2523+
MFCD20755255
ZINC000102169363
ZINC000102169368
Check stock
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Check stock on Vitas-MAvailable files
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