Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl]{1-[3-(dimethylammonio)propyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK564319
SMILES C[NH+](CCCN1C(c2ccc(cc2)F)/C(=C(/c2ccc(c(c2)C)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 C30H31FN2O4 MW 502.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31FN2O4/c1-20-18-23(12-15-25(20)37-19-21-8-5-4-6-9-21)28(34)26-27(22-10-13-24(31)14-11-22)33(30(36)29(26)35)17-7-16-32(2)3/h4-6,8-15,18,27,34H,7,16-17,19H2,1-3H3/b28-26+InChIKey
MOOBWTUHHYDUEU-BYCLXTJYSA-NSynonyms
488747-72-4(4E)1(3(DIMETHYLAMINO)PROPYL)5(4FLUOROPHENYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(1(3(dimethylammonio)propyl)2(4fluorophenyl)45dioxopyrrolidin3ylidene)methanolate
488747724
C(NH+)(CCCN1C(c2ccc(cc2)F)C(=C(c2ccc(c(c2)C)OCc2ccccc2)(O))C(=O)C1=O)C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC=C(C=C3)F)(O))OCC4=CC=CC=C4
InChI=1SC30H31FN2O4c1201823(121525(20)3719218546921)28(34)2627(22101324(31)141122)33(30(36)29(26)35)1771632(2)3h46815182734H7161719H213H3b2826+
MFCD18244510
ZINC000102527202
ZINC000102527210
Check stock
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Check stock on Vitas-MAvailable files
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