Vitas-M small molecule compound
(E)-{2-(1,3-benzodioxol-5-yl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK559713
SMILES CC[NH+](CCN1C(c2ccc3c(c2)OCO3)/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C1=O)CC
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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 C27H32N2O6 MW 480.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O6/c1-5-28(6-2)13-14-29-24(19-9-12-21-22(15-19)34-16-33-21)23(26(31)27(29)32)25(30)18-7-10-20(11-8-18)35-17(3)4/h7-12,15,17,24,30H,5-6,13-14,16H2,1-4H3/b25-23+InChIKey
QSMLECZSSCGQDI-WJTDDFOZSA-NSynonyms
371116-74-4(4E)5(13benzodioxol5yl)1(2(diethylamino)ethyl)4(hydroxy(4propan2yloxyphenyl)methylidene)pyrrolidine23dione
(4E)5(13BENZODIOXOL5YL)1(2DIETHYLAMINOETHYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(13benzodioxol5yl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(2(13BENZODIOXOL5YL)1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
371116744
5(2HBENZO(34D)13DIOXOLEN5YL)1(2(DIETHYLAMINO)ETHYL)3HYDROXY4((4(METHYLETHOXY)PHENYL)CARBONYL)3PYRROLIN2ONE
CC(NH+)(CCN1C(c2ccc3c(c2)OCO3)C(=C(c2ccc(cc2)OC(C)C)(O))C(=O)C1=O)CC
CCN(CC)CCN1C(C(=C(C2=CC=C(C=C2)OC(C)C)O)C(=O)C1=O)C3=CC4=C(C=C3)OCO4
InChI=1SC27H32N2O6c1528(62)13142924(199122122(1519)34163321)23(26(31)27(29)32)25(30)1871020(11818)3517(3)4h71215172430H56131416H214H3b2523+
MFCD18243343
ZINC000009271219
ZINC000009271220
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