Vitas-M small molecule compound

(E)-{2-(3-hydroxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate

Catalog ID
STK560106
SMILES Oc1cccc(c1)C1/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C(=O)N1CC[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 C26H30N2O6 MW 466.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O6/c1-17(2)34-21-8-6-18(7-9-21)24(30)22-23(19-4-3-5-20(29)16-19)28(26(32)25(22)31)11-10-27-12-14-33-15-13-27/h3-9,16-17,23,29-30H,10-15H2,1-2H3/b24-22+
InChIKey
OPIUHNSOHJIGEH-ZNTNEXAZSA-N
Synonyms
383903-20-6
(4E)5(3HYDROXYPHENYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(3hydroxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(2(3HYDROXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
383903206
3HYDROXY5(3HYDROXYPHENYL)4((4(METHYLETHOXY)PHENYL)CARBONYL)1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC(=CC=C4)O)(O)
InChI=1SC26H30N2O6c117(2)34218618(7921)24(30)2223(1943520(29)1619)28(26(32)25(22)31)111027121433151327h391617232930H1015H212H3b2422+
MFCD18243448
Oc1cccc(c1)C1C(=C(c2ccc(cc2)OC(C)C)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
ZINC000102493101
ZINC000102493111

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Available files

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