Vitas-M small molecule compound
(E)-{2-(3,4-dichlorophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL147388
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)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 C24H27Cl2N3O5 MW 508.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27Cl2N3O5/c1-12-17(13(2)27-19(12)24(33)34-5)21(30)18-20(14-7-8-15(25)16(26)11-14)29(23(32)22(18)31)10-6-9-28(3)4/h7-8,11,20,27,30H,6,9-10H2,1-5H3/b21-18+InChIKey
NWGRAIGGLKPLQT-DYTRJAOYSA-NSynonyms
623124-21-0(E)(2(34dichlorophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(34DICHLOROPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
623124210
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC(=C(C=C3)Cl)Cl)(O))C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)CCC(NH+)(C)C)(O))C
InChI=1SC24H27Cl2N3O5c11217(13(2)2719(12)24(33)345)21(30)1820(147815(25)16(26)1114)29(23(32)22(18)31)106928(3)4h7811202730H6910H215H3b2118+
METHYL4((2(34DICHLOROPHENYL)1(3(DIMETHYLAMINO)PROPYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(2(34DICHLOROPHENYL)1(3(DIMETHYLAMINO)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD20755188
ZINC000102925631
ZINC000102925633
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