Vitas-M small molecule compound
(E)-{2-(4-ethoxyphenyl)-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
STL040097
SMILES CCOc1ccc(cc1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[O-]
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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 C27H33N3O7 MW 511.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O7/c1-5-37-19-8-6-18(7-9-19)23-21(24(31)20-16(2)22(27(34)35-4)28-17(20)3)25(32)26(33)30(23)11-10-29-12-14-36-15-13-29/h6-9,23,28,31H,5,10-15H2,1-4H3/b24-21+InChIKey
IQIZFNZEUCEMHR-DARPEHSRSA-NSynonyms
573705-99-4(E)(2(4ethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(4ETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
573705994
CCOC1=CC=C(C=C1)C2C(=C(C3=C(NC(=C3C)C(=O)OC)C)O)C(=O)C(=O)N2CCN4CCOCC4
CCOc1ccc(cc1)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
InChI=1SC27H33N3O7c1537198618(7919)2321(24(31)2016(2)22(27(34)354)2817(20)3)25(32)26(33)30(23)111029121436151329h69232831H51015H214H3b2421+
METHYL4((2(4ETHOXYPHENYL)4HYDROXY1(2MORPHOLIN4YLETHYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(2(4ETHOXYPHENYL)1(2MORPHOLIN4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18247954
ZINC000009045804
ZINC000009177457
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