Vitas-M small molecule compound
(E)-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{2-(4-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL046939
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC)CCC[NH+]1CCOCC1)/[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 C28H35N3O7 MW 525.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O7/c1-5-38-28(35)23-17(2)21(18(3)29-23)25(32)22-24(19-7-9-20(36-4)10-8-19)31(27(34)26(22)33)12-6-11-30-13-15-37-16-14-30/h7-10,24,29,32H,5-6,11-16H2,1-4H3/b25-22+InChIKey
ZGSTXVHECDQKOQ-YYDJUVGSSA-NSynonyms
843635-56-3(E)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)(2(4methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(2(4METHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
843635563
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OC)CCC(NH+)1CCOCC1)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=C(C=C4)OC)(O))C
ETHYL4((E)HYDROXY(2(4METHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC28H35N3O7c153828(35)2317(2)21(18(3)2923)25(32)2224(197920(364)10819)31(27(34)26(22)33)1261130131537161430h710242932H561116H214H3b2522+
MFCD18248958
ZINC000102881837
ZINC000102881840
Check stock
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