Vitas-M small molecule compound
(E)-{2-(4-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STL037450
SMILES C[NH+](CCCN1C(c2ccc(cc2)Br)/C(=C(/c2ccc(c(c2)C)OC(C)C)\[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 C26H31BrN2O4 MW 515.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31BrN2O4/c1-16(2)33-21-12-9-19(15-17(21)3)24(30)22-23(18-7-10-20(27)11-8-18)29(26(32)25(22)31)14-6-13-28(4)5/h7-12,15-16,23,30H,6,13-14H2,1-5H3/b24-22+InChIKey
PGWKQTCHUCPAHU-ZNTNEXAZSA-NSynonyms
840476-61-1(4E)5(4BROMOPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(3METHYL4PROPAN2YLOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4bromophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(3methyl4(propan2yloxy)phenyl)methanolate
(E)(2(4BROMOPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PROPAN2YLOXYPHENYL)METHANOLATE
840476611
C(NH+)(CCCN1C(c2ccc(cc2)Br)C(=C(c2ccc(c(c2)C)OC(C)C)(O))C(=O)C1=O)C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)Br)O)OC(C)C
InChI=1SC26H31BrN2O4c116(2)332112919(1517(21)3)24(30)2223(1871020(27)11818)29(26(32)25(22)31)1461328(4)5h71215162330H61314H215H3b2422+
MFCD18247435
ZINC000102859147
ZINC000102859151
Check stock
See real-time availability and sample size for STL037450 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.