Vitas-M small molecule compound
(E)-(4-methoxy-2-methylphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK566767
SMILES COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)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 C29H36N2O8 MW 540.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O8/c1-18-15-20(35-2)7-8-21(18)26(32)24-25(19-16-22(36-3)28(38-5)23(17-19)37-4)31(29(34)27(24)33)10-6-9-30-11-13-39-14-12-30/h7-8,15-17,25,32H,6,9-14H2,1-5H3/b26-24+InChIKey
OWQYQPLJLMBUHM-SHHOIMCASA-NSynonyms
371207-14-6(4E)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4methoxy2methylphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(4METHOXY2METHYLPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
371207146
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=C(C(=C4)OC)OC)OC)(O)
COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)CCC(NH+)1CCOCC1)(O)
InChI=1SC29H36N2O8c1181520(352)7821(18)26(32)2425(191622(363)28(385)23(1719)374)31(29(34)27(24)33)106930111339141230h7815172532H6914H215H3b2624+
MFCD18245096
ZINC000102543818
ZINC000102543829
Check stock
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Check stock on Vitas-MAvailable files
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