Vitas-M small molecule compound
(E)-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL148603
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC)CCCn1cc[nH+]c1)/[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 C27H30N4O6 MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O6/c1-5-37-27(35)22-16(2)20(17(3)29-22)24(32)21-23(18-7-9-19(36-4)10-8-18)31(26(34)25(21)33)13-6-12-30-14-11-28-15-30/h7-11,14-15,23,29,32H,5-6,12-13H2,1-4H3/b24-21+InChIKey
GJFURLBVPPEKFT-DARPEHSRSA-NSynonyms
849916-44-5(E)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)(1(3(1Himidazol3ium1yl)propyl)2(4methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
849916445
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OC)CCCn1cc(nH+)c1)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)OC)O)C
ETHYL4((E)HYDROXY(1(3IMIDAZOL1YLPROPYL)2(4METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC27H30N4O6c153727(35)2216(2)20(17(3)2922)24(32)2123(187919(364)10818)31(26(34)25(21)33)13612301411281530h7111415232932H561213H214H3b2421+
MFCD20755427
ZINC000102927277
ZINC000102927282
Check stock
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Check stock on Vitas-MAvailable files
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