Vitas-M small molecule compound
(E)-(4-chlorophenyl){2-(4-ethoxy-3-methoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL046832
SMILES CCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
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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 C26H26ClN3O5 MW 495.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN3O5/c1-3-35-20-10-7-18(15-21(20)34-2)23-22(24(31)17-5-8-19(27)9-6-17)25(32)26(33)30(23)13-4-12-29-14-11-28-16-29/h5-11,14-16,23,31H,3-4,12-13H2,1-2H3/b24-22+InChIKey
ZNMSRWCHZKKNGE-ZNTNEXAZSA-NSynonyms
636991-38-3(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(4ETHOXY3METHOXYPHENYL)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(2(4ethoxy3methoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
4((4CHLOROPHENYL)CARBONYL)5(4ETHOXY3METHOXYPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)3PYRROLIN2ONE
636991383
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CCCN4C=CN=C4)OC
CCOc1ccc(cc1OC)C1C(=C(c2ccc(cc2)Cl)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC26H26ClN3O5c13352010718(1521(20)342)2322(24(31)175819(27)9617)25(32)26(33)30(23)13412291411281629h51114162331H341213H212H3b2422+
MFCD18248932
ZINC000102882519
ZINC000102882520
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