Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STL046338
SMILES C[NH+](CCCN1C(c2cccc(c2)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)33-21-11-10-19(14-17(21)3)24(30)22-23(18-8-6-9-20(27)15-18)29(26(32)25(22)31)13-7-12-28(4)5/h6,8-11,14-16,23,30H,7,12-13H2,1-5H3/b24-22+InChIKey
XHJSQFBWURSUCN-ZNTNEXAZSA-NSynonyms
371217-30-0(4E)5(3BROMOPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(3METHYL4PROPAN2YLOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(3bromophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(3methyl4(propan2yloxy)phenyl)methanolate
(E)(2(3BROMOPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PROPAN2YLOXYPHENYL)METHANOLATE
371217300
C(NH+)(CCCN1C(c2cccc(c2)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)CCC(NH+)(C)C)C3=CC(=CC=C3)Br)(O))OC(C)C
InChI=1SC26H31BrN2O4c116(2)3321111019(1417(21)3)24(30)2223(1886920(27)1518)29(26(32)25(22)31)1371228(4)5h681114162330H71213H215H3b2422+
MFCD18248829
ZINC000102879000
ZINC000102879002
Check stock
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Check stock on Vitas-MAvailable files
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