Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL052576
SMILES CC(COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CCC[NH+](C)C)/[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 C27H34N2O4 MW 450.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O4/c1-18(2)17-33-22-13-11-21(12-14-22)25(30)23-24(20-9-7-19(3)8-10-20)29(27(32)26(23)31)16-6-15-28(4)5/h7-14,18,24,30H,6,15-17H2,1-5H3/b25-23+InChIKey
ZYDVCATYKIQJEA-WJTDDFOZSA-NSynonyms
845665-74-9(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5(4METHYLPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
845665749
CC(COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CCC(NH+)(C)C)(O))C
CC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC(C)C)O)C(=O)C(=O)N2CCCN(C)C
InChI=1SC27H34N2O4c118(2)173322131121(121422)25(30)2324(209719(3)81020)29(27(32)26(23)31)1661528(4)5h714182430H61517H215H3b2523+
MFCD07200556
ZINC000102169758
ZINC000102169764
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