Vitas-M small molecule compound
(E)-{2-(4-hydroxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STL048224
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)O)CC[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 C26H30N2O6 MW 466.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O6/c1-2-15-34-21-9-5-19(6-10-21)24(30)22-23(18-3-7-20(29)8-4-18)28(26(32)25(22)31)12-11-27-13-16-33-17-14-27/h3-10,23,29-30H,2,11-17H2,1H3/b24-22+InChIKey
YIQUXCCUHNDEHY-ZNTNEXAZSA-NSynonyms
(4E)5(4HYDROXYPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4hydroxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(2(4HYDROXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC=C(C=C4)O)(O)
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)O)CC(NH+)1CCOCC1)(O)
InChI=1SC26H30N2O6c121534219519(61021)24(30)2223(183720(29)8418)28(26(32)25(22)31)121127131633171427h310232930H21117H21H3b2422+
MFCD18249179
ZINC000102883987
ZINC000102883989
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