Vitas-M small molecule compound
(E)-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{2-(3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK563371
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)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(19-8-6-9-20(16-19)36-4)31(27(34)26(22)33)11-7-10-30-12-14-37-15-13-30/h6,8-9,16,24,29,32H,5,7,10-15H2,1-4H3/b25-22+InChIKey
MAXNRGIRISNCPM-YYDJUVGSSA-NSynonyms
573947-66-7(E)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)(2(3methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(2(3METHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
573947667
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)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(=CC=C4)OC)(O))C
ETHYL4((E)HYDROXY(2(3METHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC28H35N3O7c153828(35)2317(2)21(18(3)2923)25(32)2224(1986920(1619)364)31(27(34)26(22)33)1171030121437151330h68916242932H571015H214H3b2522+
MFCD18244279
ZINC000102519935
ZINC000102519942
Check stock
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Check stock on Vitas-MAvailable files
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