Vitas-M small molecule compound
(E)-(3-chloro-4-methoxyphenyl)[2-(4-methylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK559028
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)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 C24H19ClN2O4 MW 434.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClN2O4/c1-14-6-8-15(9-7-14)21-20(22(28)16-10-11-18(31-2)17(25)13-16)23(29)24(30)27(21)19-5-3-4-12-26-19/h3-13,21,28H,1-2H3/b22-20+InChIKey
NBPAWCJTGYKUEV-LSDHQDQOSA-NSynonyms
573929-66-5(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)5(4METHYLPHENYL)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(2(4methylphenyl)45dioxo1(pyridinium2yl)pyrrolidin3ylidene)methanolate
573929665
CC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)Cl)O)C(=O)C(=O)N2C4=CC=CC=N4
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)c1cccc(nH+)1)(O)
InChI=1SC24H19ClN2O4c1146815(9714)2120(22(28)16101118(312)17(25)1316)23(29)24(30)27(21)19534122619h3132128H12H3b2220+
MFCD18243173
ZINC000102484107
ZINC000102484116
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