Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK564144
SMILES O=C1C(=O)/C(=C(\c2ccc(cc2C)OCc2ccccc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1cccnc1
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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/c1-22-19-25(39-21-23-7-3-2-4-8-23)10-11-26(22)29(35)27-28(24-9-5-12-32-20-24)34(31(37)30(27)36)14-6-13-33-15-17-38-18-16-33/h2-5,7-12,19-20,28,35H,6,13-18,21H2,1H3/b29-27+InChIKey
ZTYGWNCZCKTDKY-ORIPQNMZSA-NSynonyms
500272-56-0(4E)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5PYRIDIN3YLPYRROLIDINE23DIONE
(E)(2METHYL4PHENYLMETHOXYPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)methanolate
500272560
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CN=CC=C5)O
InChI=1SC31H33N3O5c1221925(3921237324823)101126(22)29(35)2728(249512322024)34(31(37)30(27)36)1461333151738181633h2571219202835H6131821H21H3b2927+
MFCD18244474
O=C1C(=O)C(=C(c2ccc(cc2C)OCc2ccccc2)(O))C(N1CCC(NH+)1CCOCC1)c1cccnc1
ZINC000102526138
ZINC000102526146
Check stock
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Check stock on Vitas-MAvailable files
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