Vitas-M small molecule compound
(E)-(4-chlorophenyl){1-[4-(dimethylammonio)phenyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK598524
SMILES COc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1c1ccc(cc1)[NH+](C)C
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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/c1-28(2)19-10-12-20(13-11-19)29-23(16-6-14-21(33-3)15-7-16)22(25(31)26(29)32)24(30)17-4-8-18(27)9-5-17/h4-15,23,30H,1-3H3/b24-22+InChIKey
IWDRHCLCASNBQV-ZNTNEXAZSA-NSynonyms
500107-03-9(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(4DIMETHYLAMINOPHENYL)5(4METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(1(4(dimethylammonio)phenyl)2(4methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4chlorophenyl)(1(4(dimethylazaniumyl)phenyl)2(4methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
500107039
C(NH+)(C)C1=CC=C(C=C1)N2C(C(=C(C3=CC=C(C=C3)Cl)(O))C(=O)C2=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)C1C(=C(c2ccc(cc2)Cl)(O))C(=O)C(=O)N1c1ccc(cc1)(NH+)(C)C
InChI=1SC26H23ClN2O4c128(2)19101220(131119)2923(1661421(333)15716)22(25(31)26(29)32)24(30)174818(27)9517h4152330H13H3b2422+
MFCD07210255
ZINC000102625337
ZINC000102625343
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