Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STK564437
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)CCC[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 C24H28BrN3O5 MW 518.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28BrN3O5/c1-13-17(14(2)26-19(13)24(32)33-5)21(29)18-20(15-8-6-9-16(25)12-15)28(23(31)22(18)30)11-7-10-27(3)4/h6,8-9,12,20,26,29H,7,10-11H2,1-5H3/b21-18+InChIKey
XFWQAQWGUITCRY-DYTRJAOYSA-NSynonyms
638135-10-1(E)(2(3bromophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(3BROMOPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
638135101
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=CC=C3)Br)O)C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Br)CCC(NH+)(C)C)(O))C
InChI=1SC24H28BrN3O5c11317(14(2)2619(13)24(32)335)21(29)1820(1586916(25)1215)28(23(31)22(18)30)1171027(3)4h68912202629H71011H215H3b2118+
METHYL4((1(3(DIMETHYLAMINO)PROPYL)2(3BROMOPHENYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(2(3BROMOPHENYL)1(3(DIMETHYLAMINO)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18244535
ZINC000102527849
ZINC000102527854
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