Vitas-M small molecule compound

(E)-{4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate

Catalog ID
STK559944
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC(C)C)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 C27H26N2O5 MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5/c1-17(2)34-22-12-6-19(7-13-22)24-23(25(30)20-8-10-21(33-3)11-9-20)26(31)27(32)29(24)16-18-5-4-14-28-15-18/h4-15,17,24,30H,16H2,1-3H3/b25-23+
InChIKey
VXNQEFGYNGDGDH-WJTDDFOZSA-N
Synonyms
636989-21-4
(4E)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)5(4PROPAN2YLOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(4Z)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)5(4PROPAN2YLOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45dioxo2(4(propan2yloxy)phenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4methoxyphenyl)methanolate
(E)(45DIOXO2(4PROPAN2YLOXYPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4METHOXYPHENYL)METHANOLATE
3HYDROXY4((4METHOXYPHENYL)CARBONYL)5(4(METHYLETHOXY)PHENYL)1(3PYRIDYLMETHYL)3PYRROLIN2ONE
636989214
CC(C)OC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OC(C)C)Cc1ccc(nH+)c1)(O)
InChI=1SC27H26N2O5c117(2)342212619(71322)2423(25(30)2081021(333)11920)26(31)27(32)29(24)16185414281518h415172430H16H213H3b2523+
MFCD18243408
ZINC000102491644
ZINC000102491650

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Available files

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