Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl]{2-(2,4-dichlorophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK564331
SMILES C[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2C)OCc2ccccc2)/[O-])/C1c1ccc(cc1Cl)Cl)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 C30H30Cl2N2O4 MW 553.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30Cl2N2O4/c1-19-16-22(38-18-20-8-5-4-6-9-20)11-13-23(19)28(35)26-27(24-12-10-21(31)17-25(24)32)34(30(37)29(26)36)15-7-14-33(2)3/h4-6,8-13,16-17,27,35H,7,14-15,18H2,1-3H3/b28-26+InChIKey
HVDMRBKJEGQOAC-BYCLXTJYSA-NSynonyms
(4E)5(24DICHLOROPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(24DICHLOROPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(2(24dichlorophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)methanolate
C(NH+)(CCCN1C(=O)C(=O)C(=C(c2ccc(cc2C)OCc2ccccc2)(O))C1c1ccc(cc1Cl)Cl)C
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCC(NH+)(C)C)C4=C(C=C(C=C4)Cl)Cl)(O)
InChI=1SC30H30Cl2N2O4c1191622(3818208546920)111323(19)28(35)2627(24121021(31)1725(24)32)34(30(37)29(26)36)1571433(2)3h4681316172735H7141518H213H3b2826+
MFCD18244513
ZINC000102527305
ZINC000102527310
Check stock
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Check stock on Vitas-MAvailable files
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