Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK566528
SMILES CC[NH+](CCCN1C(c2cccc(c2)Br)/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C1=O)CC
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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 C27H31BrN2O4 MW 527.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31BrN2O4/c1-4-29(5-2)12-7-13-30-24(18-8-6-9-21(28)16-18)23(26(32)27(30)33)25(31)19-10-11-22-20(15-19)14-17(3)34-22/h6,8-11,15-17,24,31H,4-5,7,12-14H2,1-3H3/b25-23+InChIKey
WYJAXBHPDBKLSB-WJTDDFOZSA-NSynonyms
573931-31-4(4E)5(3BROMOPHENYL)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(3bromophenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(3BROMOPHENYL)1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
573931314
CC(NH+)(CCCN1C(c2cccc(c2)Br)C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C1=O)CC
CCN(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)O)C(=O)C1=O)C4=CC(=CC=C4)Br
InChI=1SC27H31BrN2O4c1429(52)127133024(1886921(28)1618)23(26(32)27(30)33)25(31)1910112220(1519)1417(3)3422h681115172431H4571214H213H3b2523+
MFCD18245050
ZINC000102542400
ZINC000102650634
Check stock
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Check stock on Vitas-MAvailable files
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