Vitas-M small molecule compound
(E)-(3-chloro-4-methoxyphenyl){4,5-dioxo-2-[4-(propan-2-yl)phenyl]-1-(pyridinium-2-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK565328
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)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 C26H23ClN2O4 MW 462.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O4/c1-15(2)16-7-9-17(10-8-16)23-22(24(30)18-11-12-20(33-3)19(27)14-18)25(31)26(32)29(23)21-6-4-5-13-28-21/h4-15,23,30H,1-3H3/b24-22+InChIKey
VWNVOKUQZOBYOV-ZNTNEXAZSA-NSynonyms
638133-72-9(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)5(4PROPAN2YLPHENYL)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(45dioxo2(4(propan2yl)phenyl)1(pyridinium2yl)pyrrolidin3ylidene)methanolate
4((3CHLORO4METHOXYPHENYL)CARBONYL)3HYDROXY5(4(METHYLETHYL)PHENYL)1(2PYRIDYL)3PYRROLIN2ONE
638133729
CC(C)C1=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(C)C)c1cccc(nH+)1)(O)
InChI=1SC26H23ClN2O4c115(2)167917(10816)2322(24(30)18111220(333)19(27)1418)25(31)26(32)29(23)21645132821h4152330H13H3b2422+
MFCD18244751
ZINC000102534234
ZINC000102534241
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