Vitas-M small molecule compound
(E)-[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK565690
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)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 C24H29N3O6S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N3O6S/c1-14-17(15(2)25-19(14)24(31)32-3)21(28)18-20(16-6-4-13-34-16)27(23(30)22(18)29)8-5-7-26-9-11-33-12-10-26/h4,6,13,20,25,28H,5,7-12H2,1-3H3/b21-18+InChIKey
QYQFODXZLPAODE-DYTRJAOYSA-NSynonyms
846596-49-4(E)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)(1(3(morpholin4ium4yl)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
(E)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)METHANOLATE
846596494
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=CS4)(O))C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccs1)CCC(NH+)1CCOCC1)(O))C
InChI=1SC24H29N3O6Sc11417(15(2)2519(14)24(31)323)21(28)1820(1664133416)27(23(30)22(18)29)8572691133121026h4613202528H5712H213H3b2118+
METHYL4((4HYDROXY1(3MORPHOLIN4YLPROPYL)5OXO2(2THIENYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)HYDROXY(1(3MORPHOLIN4YLPROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18244847
ZINC000102536783
ZINC000102536791
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