Vitas-M small molecule compound

(E)-(4-methoxy-3-methylphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate

Catalog ID
STK564262
SMILES COc1c(OC)cc(cc1OC)C1/C(=C(/c2ccc(c(c2)C)OC)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

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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/c1-18-15-19(7-8-21(18)35-2)26(32)24-25(20-16-22(36-3)28(38-5)23(17-20)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
KASJUVYYZTYPMF-SHHOIMCASA-N
Synonyms
500274-73-7
(4E)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4methoxy3methylphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(4METHOXY3METHYLPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
500274737
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=C(C(=C4)OC)OC)OC)(O))OC
COc1c(OC)cc(cc1OC)C1C(=C(c2ccc(c(c2)C)OC)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC29H36N2O8c1181519(7821(18)352)26(32)2425(201622(363)28(385)23(1720)374)31(29(34)27(24)33)106930111339141230h7815172532H6914H215H3b2624+
MFCD18244495
ZINC000102526818
ZINC000102526827

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Available files

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