Vitas-M small molecule compound
(E)-{2-(4-ethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL149991
SMILES CCOc1ccc(cc1)C1N(CCC[NH+]2CCOCC2)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 C28H35N3O7 MW 525.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O7/c1-5-38-20-9-7-19(8-10-20)24-22(25(32)21-17(2)23(28(35)36-4)29-18(21)3)26(33)27(34)31(24)12-6-11-30-13-15-37-16-14-30/h7-10,24,29,32H,5-6,11-16H2,1-4H3/b25-22+InChIKey
DAXZTUWCOFFTRA-YYDJUVGSSA-NSynonyms
578736-68-2(E)(2(4ethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(4ETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
578736682
CCOC1=CC=C(C=C1)C2C(=C(C3=C(NC(=C3C)C(=O)OC)C)O)C(=O)C(=O)N2CCCN4CCOCC4
CCOc1ccc(cc1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
InChI=1SC28H35N3O7c1538209719(81020)2422(25(32)2117(2)23(28(35)364)2918(21)3)26(33)27(34)31(24)1261130131537161430h710242932H561116H214H3b2522+
METHYL4((2(4ETHOXYPHENYL)4HYDROXY1(3MORPHOLIN4YLPROPYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(2(4ETHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD20755715
ZINC000009334424
ZINC000009353651
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