Vitas-M small molecule compound
(E)-{2-(2,5-dimethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STK558963
SMILES COc1ccc(c(c1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[O-])OC
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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 C27H33N3O8 MW 527.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O8/c1-15-20(16(2)28-22(15)27(34)37-5)24(31)21-23(18-14-17(35-3)6-7-19(18)36-4)30(26(33)25(21)32)9-8-29-10-12-38-13-11-29/h6-7,14,23,28,31H,8-13H2,1-5H3/b24-21+InChIKey
BSNCVOJKEWBKBG-DARPEHSRSA-NSynonyms
847184-04-7(E)(2(25dimethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(25DIMETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
847184047
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=C(C=CC(=C4)OC)OC)O)C)C(=O)OC
COc1ccc(c(c1)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O))OC
InChI=1SC27H33N3O8c11520(16(2)2822(15)27(34)375)24(31)2123(181417(353)6719(18)364)30(26(33)25(21)32)9829101238131129h6714232831H813H215H3b2421+
METHYL4((2(25DIMETHOXYPHENYL)4HYDROXY1(2MORPHOLIN4YLETHYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(2(25DIMETHOXYPHENYL)1(2MORPHOLIN4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18243153
ZINC000102483474
ZINC000102483482
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