Vitas-M small molecule compound

(E)-(4-butoxy-2-methylphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene}methanolate

Catalog ID
STL045937
SMILES CCCCOc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)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 C35H40N2O6 MW 584.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N2O6/c1-3-4-20-42-28-14-15-30(25(2)23-28)33(38)31-32(26-10-8-13-29(24-26)43-27-11-6-5-7-12-27)37(35(40)34(31)39)17-9-16-36-18-21-41-22-19-36/h5-8,10-15,23-24,32,38H,3-4,9,16-22H2,1-2H3/b33-31+
InChIKey
AMWADMNUOYWRIP-QOSDPKFLSA-N
Synonyms

(4E)4((4BUTOXY2METHYLPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3PHENOXYPHENYL)PYRROLIDINE23DIONE
(E)(4butoxy2methylphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(3phenoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(4BUTOXY2METHYLPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(3PHENOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
CCCCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC(=CC=C4)OC5=CC=CC=C5)O)C
CCCCOc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CCC(NH+)1CCOCC1)(O)
InChI=1SC35H40N2O6c134204228141530(25(2)2328)33(38)3132(261081329(2426)4327116571227)37(35(40)34(31)39)1791636182141221936h58101523243238H3491622H212H3b3331+
MFCD18248747
ZINC000102879170
ZINC000102879174

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Available files

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