Vitas-M small molecule compound
(E)-(3-chloro-4-methoxyphenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK565398
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(o1)C)CCCn1c[nH+]cc1)/[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 C23H22ClN3O5 MW 455.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3O5/c1-14-4-6-18(32-14)20-19(21(28)15-5-7-17(31-2)16(24)12-15)22(29)23(30)27(20)10-3-9-26-11-8-25-13-26/h4-8,11-13,20,28H,3,9-10H2,1-2H3/b21-19+InChIKey
ZQAIPTPVZLNABI-XUTLUUPISA-NSynonyms
877621-90-4(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(5METHYLFURAN2YL)PYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(1(3(1Himidazol3ium1yl)propyl)2(5methylfuran2yl)45dioxopyrrolidin3ylidene)methanolate
877621904
CC1=CC=C(O1)C2C(=C(C3=CC(=C(C=C3)OC)Cl)O)C(=O)C(=O)N2CCCN4C=CN=C4
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(o1)C)CCCn1c(nH+)cc1)(O)
InChI=1SC23H22ClN3O5c1144618(3214)2019(21(28)155717(312)16(24)1215)22(29)23(30)27(20)103926118251326h4811132028H3910H212H3b2119+
MFCD18244773
ZINC000102534688
ZINC000102534693
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