Vitas-M small molecule compound
(5Z)-3-(4-ethylphenyl)-6-hydroxy-5-{[1-(3-phenoxypropyl)-1H-pyrrol-2-yl]methylidene}pyrimidine-2,4(3H,5H)-dione
Catalog ID
STL045355
SMILES CCc1ccc(cc1)N1C(=O)N=C(/C(=C/c2cccn2CCCOc2ccccc2)/C1=O)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 C26H25N3O4 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4/c1-2-19-11-13-20(14-12-19)29-25(31)23(24(30)27-26(29)32)18-21-8-6-15-28(21)16-7-17-33-22-9-4-3-5-10-22/h3-6,8-15,18H,2,7,16-17H2,1H3,(H,27,30,32)/b23-18-InChIKey
DKLMNHSRMHENHB-NKFKGCMQSA-NSynonyms
672918-67-1(5Z)1(4ETHYLPHENYL)5((1(3PHENOXYPROPYL)PYRROL2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)3(4ethylphenyl)6hydroxy5((1(3phenoxypropyl)1Hpyrrol2yl)methylidene)pyrimidine24(3H5H)dione
672918671
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3CCCOC4=CC=CC=C4)C(=O)NC2=O
CCc1ccc(cc1)N1C(=O)N=C(C(=Cc2cccn2CCCOc2ccccc2)C1=O)O
InChI=1SC26H25N3O4c1219111320(141219)2925(31)23(24(30)2726(29)32)1821861528(21)16717332294351022h3681518H271617H21H3(H273032)b2318
MFCD04077689
ZINC000017196223
ZINC17196223
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