Vitas-M small molecule compound
(E)-{2-(4-bromophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL043675
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)CC[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 C23H26BrN3O5 MW 504.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26BrN3O5/c1-12-16(13(2)25-18(12)23(31)32-5)20(28)17-19(14-6-8-15(24)9-7-14)27(11-10-26(3)4)22(30)21(17)29/h6-9,19,25,28H,10-11H2,1-5H3/b20-17+InChIKey
KPEOLWIPEMPQMF-LVZFUZTISA-NSynonyms
840517-77-3(E)(2(4bromophenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(4BROMOPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
840517773
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC=C(C=C3)Br)(O))C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Br)CC(NH+)(C)C)(O))C
InChI=1SC23H26BrN3O5c11216(13(2)2518(12)23(31)325)20(28)1719(146815(24)9714)27(111026(3)4)22(30)21(17)29h69192528H1011H215H3b2017+
METHYL4((1(2(DIMETHYLAMINO)ETHYL)2(4BROMOPHENYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(2(4BROMOPHENYL)1(2DIMETHYLAMINOETHYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18248261
ZINC000102873437
ZINC000102873442
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