Vitas-M small molecule compound
(E)-{2-(2,5-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL148064
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)ccc1OC)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 C29H37N3O8 MW 555.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O8/c1-6-40-29(36)24-17(2)22(18(3)30-24)26(33)23-25(20-16-19(37-4)8-9-21(20)38-5)32(28(35)27(23)34)11-7-10-31-12-14-39-15-13-31/h8-9,16,25,30,33H,6-7,10-15H2,1-5H3/b26-23+InChIKey
HHPRRXSHAJTGON-WNAAXNPUSA-NSynonyms
(E)(2(25dimethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(25DIMETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cc(OC)ccc1OC)CCC(NH+)1CCOCC1)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=C(C=CC(=C4)OC)OC)(O))C
ETHYL4((2(25DIMETHOXYPHENYL)4HYDROXY1(3MORPHOLIN4YLPROPYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)(2(25DIMETHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC29H37N3O8c164029(36)2417(2)22(18(3)3024)26(33)2325(201619(374)8921(20)385)32(28(35)27(23)34)1171031121439151331h8916253033H671015H215H3b2623+
MFCD20755321
ZINC000102926056
ZINC000102926059
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