Vitas-M small molecule compound

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

Catalog ID
STL039117
SMILES Clc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)C(C)C)N(C(=O)C1=O)CCC[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 C27H31ClN2O4 MW 483.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31ClN2O4/c1-18(2)19-4-6-20(7-5-19)24-23(25(31)21-8-10-22(28)11-9-21)26(32)27(33)30(24)13-3-12-29-14-16-34-17-15-29/h4-11,18,24,31H,3,12-17H2,1-2H3/b25-23+
InChIKey
CUAPBWOCGBEDLI-WJTDDFOZSA-N
Synonyms

(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4
Clc1ccc(cc1)C(=C1C(c2ccc(cc2)C(C)C)N(C(=O)C1=O)CCC(NH+)1CCOCC1)(O)
InChI=1SC27H31ClN2O4c118(2)194620(7519)2423(25(31)2181022(28)11921)26(32)27(33)30(24)1331229141634171529h411182431H31217H212H3b2523+
MFCD18247774
ZINC000009340016
ZINC000009340017

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Available files

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