Vitas-M small molecule compound

(E)-(4-chlorophenyl){2-[4-(methoxycarbonyl)phenyl]-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STL045022
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1CCC[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 C26H27ClN2O6 MW 498.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN2O6/c1-34-26(33)19-5-3-17(4-6-19)22-21(23(30)18-7-9-20(27)10-8-18)24(31)25(32)29(22)12-2-11-28-13-15-35-16-14-28/h3-10,22,30H,2,11-16H2,1H3/b23-21+
InChIKey
YGBLOAFPYFZALH-XTQSDGFTSA-N
Synonyms
487035-50-7
(E)(4chlorophenyl)(2(4(methoxycarbonyl)phenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(2(4METHOXYCARBONYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
487035507
COC(=O)C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4
COC(=O)c1ccc(cc1)C1C(=C(c2ccc(cc2)Cl)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC26H27ClN2O6c13426(33)195317(4619)2221(23(30)187920(27)10818)24(31)25(32)29(22)1221128131535161428h3102230H21116H21H3b2321+
METHYL4((3E)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)45DIOXOPYRROLIDIN2YL)BENZOATE
MFCD18248542
ZINC000009236675
ZINC000009236680

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.