Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Catalog ID
STK563678
SMILES COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)CC[NH+](C)C)/[O-]
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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 C23H25FN2O4 MW 412.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25FN2O4/c1-14-13-17(30-4)9-10-18(14)21(27)19-20(15-5-7-16(24)8-6-15)26(12-11-25(2)3)23(29)22(19)28/h5-10,13,20,27H,11-12H2,1-4H3/b21-19+InChIKey
XBXVQIVFYJNHNS-XUTLUUPISA-NSynonyms
459793-69-2(4E)1(2(dimethylamino)ethyl)5(4fluorophenyl)4(hydroxy(4methoxy2methylphenyl)methylidene)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)5(4FLUOROPHENYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(4fluorophenyl)45dioxopyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
459793692
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)F)O
COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)CC(NH+)(C)C)(O)
InChI=1SC23H25FN2O4c1141317(304)91018(14)21(27)1920(155716(24)8615)26(121125(2)3)23(29)22(19)28h510132027H1112H214H3b2119+
MFCD18244353
ZINC000102522449
ZINC000102522458
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.