Vitas-M small molecule compound

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

Catalog ID
STL147551
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)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 C30H36N2O5 MW 504.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O5/c1-4-18-37-25-12-10-24(11-13-25)28(33)26-27(23-8-6-22(7-9-23)21(2)3)32(30(35)29(26)34)15-5-14-31-16-19-36-20-17-31/h4,6-13,21,27,33H,1,5,14-20H2,2-3H3/b28-26+
InChIKey
IQPYSRNPCXPGAA-BYCLXTJYSA-N
Synonyms
613219-94-6
(4E)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(1(3(morpholin4ium4yl)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
(E)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)(4PROP2ENOXYPHENYL)METHANOLATE
3HYDROXY5(4(METHYLETHYL)PHENYL)1(3MORPHOLIN4YLPROPYL)4((4PROP2ENYLOXYPHENYL)CARBONYL)3PYRROLIN2ONE
613219946
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCC(NH+)1CCOCC1)(O)
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4
InChI=1SC30H36N2O5c14183725121024(111325)28(33)2627(238622(7923)21(2)3)32(30(35)29(26)34)1551431161936201731h4613212733H151420H223H3b2826+
MFCD20755219
ZINC000101287249
ZINC000101287254

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Available files

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