Vitas-M small molecule compound
(E)-[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{2-(4-methylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL039122
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)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 C27H33N3O6 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O6/c1-16-6-8-19(9-7-16)23-21(24(31)20-17(2)22(27(34)35-4)28-18(20)3)25(32)26(33)30(23)11-5-10-29-12-14-36-15-13-29/h6-9,23,28,31H,5,10-15H2,1-4H3/b24-21+InChIKey
ZHQXDMPRZGULJC-DARPEHSRSA-NSynonyms
587006-86-8(E)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)(2(4methylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(2(4METHYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
587006868
CC1=CC=C(C=C1)C2C(=C(C3=C(NC(=C3C)C(=O)OC)C)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CCC(NH+)1CCOCC1)(O))C
InChI=1SC27H33N3O6c1166819(9716)2321(24(31)2017(2)22(27(34)354)2818(20)3)25(32)26(33)30(23)1151029121436151329h69232831H51015H214H3b2421+
METHYL4((E)HYDROXY(2(4METHYLPHENYL)1(3MORPHOLIN4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18247776
ZINC000102862812
ZINC000102862814
Check stock
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Check stock on Vitas-MAvailable files
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