Vitas-M small molecule compound

(E)-[4,5-dioxo-1-(pyridinium-4-ylmethyl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene]{4-[(3-methylbenzyl)oxy]phenyl}methanolate

Catalog ID
STL050692
SMILES Cc1cccc(c1)COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)Cc1cc[nH+]cc1)/[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 C30H25N3O4 MW 491.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O4/c1-20-4-2-5-22(16-20)19-37-25-9-7-23(8-10-25)28(34)26-27(24-6-3-13-32-17-24)33(30(36)29(26)35)18-21-11-14-31-15-12-21/h2-17,27,34H,18-19H2,1H3/b28-26+
InChIKey
AVWZTPFLLKOYJW-BYCLXTJYSA-N
Synonyms
836646-37-8
(4E)4(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)5PYRIDIN3YL1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO1(PYRIDIN1IUM4YLMETHYL)2PYRIDIN3YLPYRROLIDIN3YLIDENE)(4((3METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
(E)(45dioxo1(pyridinium4ylmethyl)2(pyridin3yl)pyrrolidin3ylidene)(4((3methylbenzyl)oxy)phenyl)methanolate
836646378
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=NC=C4)C5=CN=CC=C5)O
Cc1cccc(c1)COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccnc1)Cc1cc(nH+)cc1)(O)
InChI=1SC30H25N3O4c12042522(1620)1937259723(81025)28(34)2627(246313321724)33(30(36)29(26)35)1821111431151221h2172734H1819H21H3b2826+
MFCD18249344
ZINC000102887231
ZINC000102887233

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Available files

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