Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK560235
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)OC)CCCn1cc[nH+]c1)/[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 C26H26ClN3O5 MW 495.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN3O5/c1-3-35-21-9-8-18(15-20(21)27)24(31)22-23(17-6-4-7-19(14-17)34-2)30(26(33)25(22)32)12-5-11-29-13-10-28-16-29/h4,6-10,13-16,23,31H,3,5,11-12H2,1-2H3/b24-22+InChIKey
MSDQAUGVYBIZJB-ZNTNEXAZSA-NSynonyms
850158-53-1(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(1(3(1Himidazol3ium1yl)propyl)2(3methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY1(3IMIDAZOLYLPROPYL)5(3METHOXYPHENYL)3PYRROLIN2ONE
850158531
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=CC=C4)OC)O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1cccc(c1)OC)CCCn1cc(nH+)c1)(O)
InChI=1SC26H26ClN3O5c1335219818(1520(21)27)24(31)2223(1764719(1417)342)30(26(33)25(22)32)12511291310281629h461013162331H351112H212H3b2422+
MFCD18243479
ZINC000102494204
ZINC000102494213
Check stock
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Check stock on Vitas-MAvailable files
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