Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STK562440
SMILES CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2c(C)[nH]c(c2C)C(=O)OC)/[O-])/C1c1ccc(cc1)C)CC
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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 C27H35N3O5 MW 481.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O5/c1-7-29(8-2)14-9-15-30-23(19-12-10-16(3)11-13-19)21(25(32)26(30)33)24(31)20-17(4)22(27(34)35-6)28-18(20)5/h10-13,23,28,31H,7-9,14-15H2,1-6H3/b24-21+InChIKey
HGZFQAGWVOIOGD-DARPEHSRSA-NSynonyms
797019-73-9(E)(1(3(diethylammonio)propyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
797019739
CC(NH+)(CC)CCCN1C(C(=C(C2=C(NC(=C2C)C(=O)OC)C)(O))C(=O)C1=O)C3=CC=C(C=C3)C
CC(NH+)(CCCN1C(=O)C(=O)C(=C(c2c(C)(nH)c(c2C)C(=O)OC)(O))C1c1ccc(cc1)C)CC
InChI=1SC27H35N3O5c1729(82)149153023(19121016(3)111319)21(25(32)26(30)33)24(31)2017(4)22(27(34)356)2818(20)5h1013232831H791415H216H3b2421+
METHYL4((1(3(DIETHYLAMINO)PROPYL)4HYDROXY2(4METHYLPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(3(DIETHYLAMINO)PROPYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18244049
ZINC000102512615
ZINC000102512626
Check stock
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Check stock on Vitas-MAvailable files
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