Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL046879
SMILES CCOc1ccc(cc1)C1N(CCC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[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 C28H37N3O6 MW 511.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37N3O6/c1-7-30(8-2)15-10-16-31-24(19-11-13-20(14-12-19)37-9-3)22(26(33)27(31)34)25(32)21-17(4)23(28(35)36-6)29-18(21)5/h11-14,24,29,32H,7-10,15-16H2,1-6H3/b25-22+InChIKey
ITDFHTKYSOWKQG-YYDJUVGSSA-NSynonyms
797015-26-0(E)(1(3(diethylammonio)propyl)2(4ethoxyphenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(4ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
797015260
CC(NH+)(CC)CCCN1C(C(=C(C2=C(NC(=C2C)C(=O)OC)C)(O))C(=O)C1=O)C3=CC=C(C=C3)OCC
CCOc1ccc(cc1)C1N(CCC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
InChI=1SC28H37N3O6c1730(82)1510163124(19111320(141219)3793)22(26(33)27(31)34)25(32)2117(4)23(28(35)366)2918(21)5h1114242932H7101516H216H3b2522+
METHYL4((1(3(DIETHYLAMINO)PROPYL)2(4ETHOXYPHENYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(3(DIETHYLAMINO)PROPYL)2(4ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18248944
ZINC000009333817
ZINC000009333818
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