Vitas-M small molecule compound

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

Catalog ID
STL148536
SMILES Cc1ccc(cc1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCc1ccccc1)/[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 C33H36N2O5 MW 540.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N2O5/c1-23-9-11-26(12-10-23)30-29(32(37)33(38)35(30)16-6-15-34-17-19-39-20-18-34)31(36)27-13-14-28(24(2)21-27)40-22-25-7-4-3-5-8-25/h3-5,7-14,21,30,36H,6,15-20,22H2,1-2H3/b31-29+
InChIKey
IHPPRIMZAJNPAG-OWWNRXNESA-N
Synonyms
487032-47-3
(4E)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)5(4METHYLPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(3METHYL4PHENYLMETHOXYPHENYL)(2(4METHYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(2(4methylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
4(4(BENZYLOXY)3METHYLBENZOYL)3HYDROXY5(4METHYLPHENYL)1(3MORPHOLIN4YLPROPYL)15DIHYDRO2HPYRROL2ONE
487032473
CC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OCC4=CC=CC=C4)C)O)C(=O)C(=O)N2CCCN5CCOCC5
Cc1ccc(cc1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCc1ccccc1)(O)
InChI=1SC33H36N2O5c12391126(121023)3029(32(37)33(38)35(30)1661534171939201834)31(36)27131428(24(2)2127)4022257435825h35714213036H6152022H212H3b3129+
MFCD20755414
ZINC000102927262
ZINC000102927265

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Available files

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