Vitas-M small molecule compound
(E)-{2-(4-ethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK565033
SMILES CCOc1ccc(cc1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OC(C)C)/[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 C28H34N2O6 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O6/c1-4-35-22-9-5-20(6-10-22)25-24(26(31)21-7-11-23(12-8-21)36-19(2)3)27(32)28(33)30(25)14-13-29-15-17-34-18-16-29/h5-12,19,25,31H,4,13-18H2,1-3H3/b26-24+InChIKey
AEDJYONUYZYFJO-SHHOIMCASA-NSynonyms
(E)(2(4ethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
CCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC(C)C)(O))C(=O)C(=O)N2CC(NH+)4CCOCC4
CCOc1ccc(cc1)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(cc1)OC(C)C)(O)
InChI=1SC28H34N2O6c1435229520(61022)2524(26(31)2171123(12821)3619(2)3)27(32)28(33)30(25)141329151734181629h512192531H41318H213H3b2624+
MFCD09795141
ZINC000009044522
ZINC000009123659
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