Vitas-M small molecule compound
(E)-[4-(benzyloxy)phenyl]{2-(4-chlorophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL054493
SMILES C[NH+](CCN1C(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 C28H27ClN2O4 MW 490.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN2O4/c1-30(2)16-17-31-25(20-8-12-22(29)13-9-20)24(27(33)28(31)34)26(32)21-10-14-23(15-11-21)35-18-19-6-4-3-5-7-19/h3-15,25,32H,16-18H2,1-2H3/b26-24+InChIKey
AYHZSZXMUZDMDY-SHHOIMCASA-NSynonyms
(4E)5(4CHLOROPHENYL)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4CHLOROPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)phenyl)(2(4chlorophenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)methanolate
C(NH+)(C)CCN1C(C(=C(C2=CC=C(C=C2)OCC3=CC=CC=C3)(O))C(=O)C1=O)C4=CC=C(C=C4)Cl
C(NH+)(CCN1C(c2ccc(cc2)Cl)C(=C(c2ccc(cc2)OCc2ccccc2)(O))C(=O)C1=O)C
InChI=1SC28H27ClN2O4c130(2)16173125(2081222(29)13920)24(27(33)28(31)34)26(32)21101423(151121)3518196435719h3152532H1618H212H3b2624+
MFCD18249609
ZINC000102892888
ZINC000102892891
Check stock
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Check stock on Vitas-MAvailable files
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