Vitas-M small molecule compound
(E)-{4-[(2-methylbenzyl)oxy]phenyl}{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL147903
SMILES O=C1C(=O)/C(=C(\c2ccc(cc2)OCc2ccccc2C)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccncc1
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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 C31H33N3O5 MW 527.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O5/c1-22-5-2-3-6-25(22)21-39-26-9-7-24(8-10-26)29(35)27-28(23-11-13-32-14-12-23)34(31(37)30(27)36)16-4-15-33-17-19-38-20-18-33/h2-3,5-14,28,35H,4,15-21H2,1H3/b29-27+InChIKey
RQJMLGKTIIWDFH-ORIPQNMZSA-NSynonyms
577696-29-8(4E)4(HYDROXY(4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(4((2methylbenzyl)oxy)phenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(4((2METHYLPHENYL)METHOXY)PHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
577696298
CC1=CC=CC=C1COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC=NC=C5)O
InChI=1SC31H33N3O5c122523625(22)2139269724(81026)29(35)2728(23111332141223)34(31(37)30(27)36)1641533171938201833h235142835H41521H21H3b2927+
MFCD20755285
O=C1C(=O)C(=C(c2ccc(cc2)OCc2ccccc2C)(O))C(N1CCC(NH+)1CCOCC1)c1ccncc1
ZINC000102925930
ZINC000102925933
Check stock
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Check stock on Vitas-MAvailable files
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