Vitas-M small molecule compound
(E)-[4-(benzyloxy)phenyl]{2-(4-chlorophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL053573
SMILES C[NH+](CCCN1C(c2ccc(cc2)Cl)/C(=C(/c2ccc(cc2)OCc2ccccc2)\[O-])/C(=O)C1=O)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 C29H29ClN2O4 MW 505.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN2O4/c1-31(2)17-6-18-32-26(21-9-13-23(30)14-10-21)25(28(34)29(32)35)27(33)22-11-15-24(16-12-22)36-19-20-7-4-3-5-8-20/h3-5,7-16,26,33H,6,17-19H2,1-2H3/b27-25+InChIKey
HMIWYYSJCAGKNK-IMVLJIQESA-NSynonyms
845800-20-6(4E)5(4CHLOROPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4CHLOROPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)phenyl)(2(4chlorophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)methanolate
845800206
C(NH+)(C)CCCN1C(C(=C(C2=CC=C(C=C2)OCC3=CC=CC=C3)(O))C(=O)C1=O)C4=CC=C(C=C4)Cl
C(NH+)(CCCN1C(c2ccc(cc2)Cl)C(=C(c2ccc(cc2)OCc2ccccc2)(O))C(=O)C1=O)C
InChI=1SC29H29ClN2O4c131(2)176183226(2191323(30)141021)25(28(34)29(32)35)27(33)22111524(161222)3619207435820h357162633H61719H212H3b2725+
MFCD18249549
ZINC000102891770
ZINC000102891772
Check stock
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Check stock on Vitas-MAvailable files
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