Vitas-M small molecule compound
(E)-(4-methoxy-2-methylphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL046011
SMILES COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CCC[NH+]1CCOCC1)/[O-]
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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 C26H29N3O7 MW 495.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O7/c1-17-15-20(35-2)7-8-21(17)24(30)22-23(18-5-3-6-19(16-18)29(33)34)28(26(32)25(22)31)10-4-9-27-11-13-36-14-12-27/h3,5-8,15-16,23,30H,4,9-14H2,1-2H3/b24-22+InChIKey
GDKKUGCZXGIIOP-ZNTNEXAZSA-NSynonyms
(4E)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(4methoxy2methylphenyl)(1(3(morpholin4ium4yl)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4METHOXY2METHYLPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=CC=C4)(N+)(=O)(O))(O)
COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CCC(NH+)1CCOCC1)(O)
InChI=1SC26H29N3O7c1171520(352)7821(17)24(30)2223(1853619(1618)29(33)34)28(26(32)25(22)31)104927111336141227h35815162330H4914H212H3b2422+
MFCD18248762
ZINC000102879663
ZINC000102879664
Check stock
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Check stock on Vitas-MAvailable files
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