Vitas-M small molecule compound
(E)-[2-(3-chlorophenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](4-propoxyphenyl)methanolate
Catalog ID
STL037475
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)c1cccc[nH+]1)/[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 C25H21ClN2O4 MW 448.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O4/c1-2-14-32-19-11-9-16(10-12-19)23(29)21-22(17-6-5-7-18(26)15-17)28(25(31)24(21)30)20-8-3-4-13-27-20/h3-13,15,22,29H,2,14H2,1H3/b23-21+InChIKey
DZUPHVCNUFEGNO-XTQSDGFTSA-NSynonyms
614747-93-2(4E)5(3CHLOROPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(2(3chlorophenyl)45dioxo1(pyridinium2yl)pyrrolidin3ylidene)(4propoxyphenyl)methanolate
614747932
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC(=CC=C4)Cl)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Cl)c1cccc(nH+)1)(O)
InChI=1SC25H21ClN2O4c1214321911916(101219)23(29)2122(1765718(26)1517)28(25(31)24(21)30)20834132720h313152229H214H21H3b2321+
MFCD18247438
ZINC000102858715
ZINC000102858717
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