Vitas-M small molecule compound
(E)-{2-(4-chlorophenyl)-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
STK564845
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)CC[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 C25H28ClN3O6 MW 501.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28ClN3O6/c1-14-18(15(2)27-20(14)25(33)34-3)22(30)19-21(16-4-6-17(26)7-5-16)29(24(32)23(19)31)9-8-28-10-12-35-13-11-28/h4-7,21,27,30H,8-13H2,1-3H3/b22-19+InChIKey
ADSZQWHAHDLDIP-ZBJSNUHESA-NSynonyms
638134-97-1(E)(2(4chlorophenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(4CHLOROPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
638134971
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC=C(C=C4)Cl)(O))C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Cl)CC(NH+)1CCOCC1)(O))C
InChI=1SC25H28ClN3O6c11418(15(2)2720(14)25(33)343)22(30)1921(164617(26)7516)29(24(32)23(19)31)9828101235131128h47212730H813H213H3b2219+
METHYL4((2(4CHLOROPHENYL)4HYDROXY1(2MORPHOLIN4YLETHYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(2(4CHLOROPHENYL)1(2MORPHOLIN4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18244634
ZINC000102530802
ZINC000102530811
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