Vitas-M small molecule compound

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

Catalog ID
STL046904
SMILES CC(COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CCC[NH+]1CCOCC1)/[O-])C

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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 C30H38N2O5 MW 506.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O5/c1-20(2)19-37-24-10-11-25(22(4)18-24)28(33)26-27(23-8-6-21(3)7-9-23)32(30(35)29(26)34)13-5-12-31-14-16-36-17-15-31/h6-11,18,20,27,33H,5,12-17,19H2,1-4H3/b28-26+
InChIKey
XEAWFBYAFVRPII-BYCLXTJYSA-N
Synonyms
500271-04-5
(4E)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5(4METHYLPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2methyl4(2methylpropoxy)phenyl)(2(4methylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(2METHYL4(2METHYLPROPOXY)PHENYL)(2(4METHYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
500271045
CC(COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CCC(NH+)1CCOCC1)(O))C
CC1=CC=C(C=C1)C2C(=C(C3=C(C=C(C=C3)OCC(C)C)C)O)C(=O)C(=O)N2CCCN4CCOCC4
InChI=1SC30H38N2O5c120(2)193724101125(22(4)1824)28(33)2627(238621(3)7923)32(30(35)29(26)34)1351231141636171531h61118202733H5121719H214H3b2826+
MFCD18248949
ZINC000102168938
ZINC000102168950

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Available files

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