Vitas-M small molecule compound
(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene]{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STK567954
SMILES [O-]/C(=C\1/C(=O)C(=O)N(C1c1cccnc1)Cc1ccc[nH+]c1)/c1ccc(cc1)OCc1ccccc1C
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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 C30H25N3O4 MW 491.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O4/c1-20-6-2-3-8-24(20)19-37-25-12-10-22(11-13-25)28(34)26-27(23-9-5-15-32-17-23)33(30(36)29(26)35)18-21-7-4-14-31-16-21/h2-17,27,34H,18-19H2,1H3/b28-26+InChIKey
ZLDMUZBQAVTVBS-BYCLXTJYSA-NSynonyms
(4E)4(HYDROXY(4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)5PYRIDIN3YL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2PYRIDIN3YLPYRROLIDIN3YLIDENE)(4((2METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
(E)(45dioxo1(pyridinium3ylmethyl)2(pyridin3yl)pyrrolidin3ylidene)(4((2methylbenzyl)oxy)phenyl)methanolate
(O)C(=C1C(=O)C(=O)N(C1c1cccnc1)Cc1ccc(nH+)c1)c1ccc(cc1)OCc1ccccc1C
850193850
CC1=CC=CC=C1COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=C(NH+)=CC=C4)C5=CN=CC=C5)(O)
InChI=1SC30H25N3O4c120623824(20)193725121022(111325)28(34)2627(239515321723)33(30(36)29(26)35)18217414311621h2172734H1819H21H3b2826+
MFCD18245188
ZINC000102549972
ZINC000102549978
Check stock
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Check stock on Vitas-MAvailable files
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