Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STL148158
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)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 C31H40N2O5 MW 520.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O5/c1-5-19-38-25-13-9-23(10-14-25)28(34)26-27(22-7-11-24(12-8-22)31(2,3)4)33(30(36)29(26)35)16-6-15-32-17-20-37-21-18-32/h7-14,27,34H,5-6,15-21H2,1-4H3/b28-26+InChIKey
CFWMPEMKORBOCE-BYCLXTJYSA-NSynonyms
636992-18-2(4E)5(4TERTBUTYLPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
5(4(TERTBUTYL)PHENYL)3HYDROXY1(3MORPHOLIN4YLPROPYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
636992182
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)C(C)(C)C)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCC(NH+)1CCOCC1)(O)
InChI=1SC31H40N2O5c1519382513923(101425)28(34)2627(2271124(12822)31(23)4)33(30(36)29(26)35)1661532172037211832h7142734H561521H214H3b2826+
MFCD20755337
ZINC000102925987
ZINC000102925989
Check stock
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Check stock on Vitas-MAvailable files
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