Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl][4,5-dioxo-2-(3-phenoxyphenyl)-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK560902
SMILES Cc1cc(OCc2ccccc2)ccc1/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 C37H30N2O5 MW 582.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H30N2O5/c1-25-20-30(43-24-26-10-4-2-5-11-26)17-18-32(25)35(40)33-34(39(37(42)36(33)41)23-27-12-9-19-38-22-27)28-13-8-16-31(21-28)44-29-14-6-3-7-15-29/h2-22,34,40H,23-24H2,1H3/b35-33+InChIKey
RGNXJKWPSKQRDJ-LAPDZXRHSA-NSynonyms
(4E)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)5(3PHENOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4(benzyloxy)2methylphenyl)(45dioxo2(3phenoxyphenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
(E)(45DIOXO2(3PHENOXYPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
4(4(BENZYLOXY)2METHYLBENZOYL)3HYDROXY5(3PHENOXYPHENYL)1(PYRIDIN3YLMETHYL)1HPYRROL2(5H)ONE
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC(=CC=C5)OC6=CC=CC=C6)O
Cc1cc(OCc2ccccc2)ccc1C(=C1C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)Cc1ccc(nH+)c1)(O)
InChI=1SC37H30N2O5c1252030(432426104251126)171832(25)35(40)3334(39(37(42)36(33)41)232712919382227)281381631(2128)4429146371529h2223440H2324H21H3b3533+
MFCD18243661
ZINC000102499851
ZINC000102499862
Check stock
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Check stock on Vitas-MAvailable files
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