Vitas-M small molecule compound
(E)-[5-(methoxycarbonyl)-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
STL045442
SMILES COc1cccc(c1)C1N(CCC[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/c1-16-20(17(2)28-22(16)27(34)36-4)24(31)21-23(18-7-5-8-19(15-18)35-3)30(26(33)25(21)32)10-6-9-29-11-13-37-14-12-29/h5,7-8,15,23,28,31H,6,9-14H2,1-4H3/b24-21+InChIKey
JMWKKSYSLRVEQU-DARPEHSRSA-NSynonyms
638134-48-2(E)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)(2(3methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(2(3METHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
638134482
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC(=CC=C4)OC)O)C)C(=O)OC
COc1cccc(c1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
InChI=1SC27H33N3O7c11620(17(2)2822(16)27(34)364)24(31)2123(1875819(1518)353)30(26(33)25(21)32)106929111337141229h57815232831H6914H214H3b2421+
METHYL4((4HYDROXY2(3METHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)HYDROXY(2(3METHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18248639
ZINC000102878219
ZINC000102878222
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