Vitas-M small molecule compound
(E)-(4-methoxy-2-methylphenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK564539
SMILES COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CC[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 C25H27N3O7 MW 481.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O7/c1-16-14-19(34-2)6-7-20(16)23(29)21-22(17-4-3-5-18(15-17)28(32)33)27(25(31)24(21)30)9-8-26-10-12-35-13-11-26/h3-7,14-15,22,29H,8-13H2,1-2H3/b23-21+InChIKey
JSYGTPBVTGBPKL-XTQSDGFTSA-NSynonyms
(4E)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(4methoxy2methylphenyl)(1(2(morpholin4ium4yl)ethyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4METHOXY2METHYLPHENYL)(1(2MORPHOLIN4IUM4YLETHYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CC(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))CC(NH+)1CCOCC1)(O)
InChI=1SC25H27N3O7c1161419(342)6720(16)23(29)2122(1743518(1517)28(32)33)27(25(31)24(21)30)9826101235131126h3714152229H813H212H3b2321+
MFCD18244560
ZINC000102528542
ZINC000102528548
Check stock
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Check stock on Vitas-MAvailable files
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