Vitas-M small molecule compound

(E)-(4-butoxy-2-methylphenyl)[4,5-dioxo-2-(3-phenoxyphenyl)-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate

Catalog ID
STL150466
SMILES CCCCOc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)Cc1ccc[nH+]c1)/[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 C34H32N2O5 MW 548.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N2O5/c1-3-4-18-40-27-15-16-29(23(2)19-27)32(37)30-31(36(34(39)33(30)38)22-24-10-9-17-35-21-24)25-11-8-14-28(20-25)41-26-12-6-5-7-13-26/h5-17,19-21,31,37H,3-4,18,22H2,1-2H3/b32-30+
InChIKey
KOIDEAPNQPVZOU-NHQGMKOOSA-N
Synonyms
370576-05-9
(4E)4((4BUTOXY2METHYLPHENYL)HYDROXYMETHYLIDENE)5(3PHENOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4BUTOXY2METHYLPHENYL)(45DIOXO2(3PHENOXYPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4butoxy2methylphenyl)(45dioxo2(3phenoxyphenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
370576059
CCCCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=CC=C4)OC5=CC=CC=C5)O)C
CCCCOc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)Cc1ccc(nH+)c1)(O)
InChI=1SC34H32N2O5c134184027151629(23(2)1927)32(37)3031(36(34(39)33(30)38)222410917352124)251181428(2025)4126126571326h51719213137H341822H212H3b3230+
MFCD20755837
ZINC000102930808
ZINC000102930810

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Available files

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