Vitas-M small molecule compound
(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-4-yl)pyrrolidin-3-ylidene](4-propoxyphenyl)methanolate
Catalog ID
STL049078
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)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 C25H23N3O4 MW 429.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4/c1-2-14-32-20-7-5-19(6-8-20)23(29)21-22(18-9-12-26-13-10-18)28(25(31)24(21)30)16-17-4-3-11-27-15-17/h3-13,15,22,29H,2,14,16H2,1H3/b23-21+InChIKey
PZVADWGXGUAPHZ-XTQSDGFTSA-NSynonyms
(4E)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)5PYRIDIN4YL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2PYRIDIN4YLPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
(E)(45dioxo1(pyridinium3ylmethyl)2(pyridin4yl)pyrrolidin3ylidene)(4propoxyphenyl)methanolate
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=NC=C4)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccncc1)Cc1ccc(nH+)c1)(O)
InChI=1SC25H23N3O4c121432207519(6820)23(29)2122(1891226131018)28(25(31)24(21)30)16174311271517h313152229H21416H21H3b2321+
MFCD18249244
ZINC000102884898
ZINC000102884900
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