Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Catalog ID
STL040051
SMILES COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)CCC[NH+]1CCOCC1)/[O-]
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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 C26H29BrN2O5 MW 529.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29BrN2O5/c1-17-15-20(33-2)7-8-21(17)24(30)22-23(18-5-3-6-19(27)16-18)29(26(32)25(22)31)10-4-9-28-11-13-34-14-12-28/h3,5-8,15-16,23,30H,4,9-14H2,1-2H3/b24-22+InChIKey
ASVFNERXXMBKLU-ZNTNEXAZSA-NSynonyms
496774-93-7(4E)5(3BROMOPHENYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3bromophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(2(3BROMOPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
496774937
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC(=CC=C4)Br)O
COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Br)CCC(NH+)1CCOCC1)(O)
InChI=1SC26H29BrN2O5c1171520(332)7821(17)24(30)2223(1853619(27)1618)29(26(32)25(22)31)104928111334141228h35815162330H4914H212H3b2422+
MFCD18247944
ZINC000102864812
ZINC000102864814
Check stock
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