Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl]{2-(4-chlorophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK563051
SMILES C[NH+](CCN1C(c2ccc(cc2)Cl)/C(=C(/c2ccc(cc2C)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/c1-19-17-23(36-18-20-7-5-4-6-8-20)13-14-24(19)27(33)25-26(21-9-11-22(30)12-10-21)32(16-15-31(2)3)29(35)28(25)34/h4-14,17,26,33H,15-16,18H2,1-3H3/b27-25+InChIKey
TUXRZLBTWMJTOF-IMVLJIQESA-NSynonyms
488861-51-4(4E)5(4CHLOROPHENYL)1(2DIMETHYLAMINOETHYL)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4CHLOROPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(2(4chlorophenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)methanolate
488861514
C(NH+)(CCN1C(c2ccc(cc2)Cl)C(=C(c2ccc(cc2C)OCc2ccccc2)(O))C(=O)C1=O)C
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)(C)C)C4=CC=C(C=C4)Cl)(O)
InChI=1SC29H29ClN2O4c1191723(3618207546820)131424(19)27(33)2526(2191122(30)121021)32(161531(2)3)29(35)28(25)34h414172633H151618H213H3b2725+
MFCD18244201
ZINC000102517423
ZINC000102517430
Check stock
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Check stock on Vitas-MAvailable files
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