Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Catalog ID
STL149022
SMILES COc1cccc(c1)/C(=C\1/C(c2ccc(cc2)C(C)(C)C)N(C(=O)C1=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 C29H36N2O5 MW 492.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O5/c1-29(2,3)22-11-9-20(10-12-22)25-24(26(32)21-7-5-8-23(19-21)35-4)27(33)28(34)31(25)14-6-13-30-15-17-36-18-16-30/h5,7-12,19,25,32H,6,13-18H2,1-4H3/b26-24+InChIKey
PACKYRFGNHNJTB-SHHOIMCASA-NSynonyms
608505-34-6(4E)5(4TERTBUTYLPHENYL)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(3methoxyphenyl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHOXYPHENYL)METHANOLATE
5(4(TERTBUTYL)PHENYL)3HYDROXY4((3METHOXYPHENYL)CARBONYL)1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
608505346
CC(C)(C)C1=CC=C(C=C1)C2C(=C(C3=CC(=CC=C3)OC)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4
COc1cccc(c1)C(=C1C(c2ccc(cc2)C(C)(C)C)N(C(=O)C1=O)CCC(NH+)1CCOCC1)(O)
InChI=1SC29H36N2O5c129(23)2211920(101222)2524(26(32)2175823(1921)354)27(33)28(34)31(25)1461330151736181630h5712192532H61318H214H3b2624+
MFCD20755521
ZINC000009186481
ZINC000009241474
Check stock
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