Vitas-M small molecule compound
(E)-{2-(4-chlorophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STL057343
SMILES C[NH+](CCN1C(c2ccc(cc2)Cl)/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\[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/c1-19-5-4-6-20(17-19)18-36-24-13-9-22(10-14-24)27(33)25-26(21-7-11-23(30)12-8-21)32(16-15-31(2)3)29(35)28(25)34/h4-14,17,26,33H,15-16,18H2,1-3H3/b27-25+InChIKey
BVXVLYVOJNSRDD-IMVLJIQESA-NSynonyms
836626-32-5(4E)5(4CHLOROPHENYL)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4chlorophenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(4((3methylbenzyl)oxy)phenyl)methanolate
(E)(2(4CHLOROPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4((3METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
836626325
C(NH+)(CCN1C(c2ccc(cc2)Cl)C(=C(c2ccc(cc2)OCc2cccc(c2)C)(O))C(=O)C1=O)C
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)(C)C)C4=CC=C(C=C4)Cl)(O)
InChI=1SC29H29ClN2O4c11954620(1719)18362413922(101424)27(33)2526(2171123(30)12821)32(161531(2)3)29(35)28(25)34h414172633H151618H213H3b2725+
MFCD18249804
ZINC000102897413
ZINC000102897415
Check stock
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Check stock on Vitas-MAvailable files
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