Vitas-M small molecule compound
(E)-[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL149753
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)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 C24H28N4O6 MW 468.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O6/c1-14-17(15(2)26-19(14)24(32)33-3)21(29)18-20(16-5-4-6-25-13-16)28(23(31)22(18)30)8-7-27-9-11-34-12-10-27/h4-6,13,20,26,29H,7-12H2,1-3H3/b21-18+InChIKey
YOPUAIOVWRBFMF-DYTRJAOYSA-NSynonyms
578735-86-1(E)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)methanolate
(E)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)METHANOLATE
578735861
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CN=CC=C4)(O))C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccnc1)CC(NH+)1CCOCC1)(O))C
InChI=1SC24H28N4O6c11417(15(2)2619(14)24(32)333)21(29)1820(16546251316)28(23(31)22(18)30)872791134121027h4613202629H712H213H3b2118+
METHYL4((4HYDROXY1(2MORPHOLIN4YLETHYL)5OXO2(3PYRIDYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((Z)HYDROXY(1(2MORPHOLIN4YLETHYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD20755667
ZINC000100446488
ZINC000100446493
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