Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL149276
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CCC[NH+](C)C)/[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 C25H31N3O5 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O5/c1-6-33-25(32)20-15(2)18(16(3)26-20)22(29)19-21(17-11-8-7-9-12-17)28(24(31)23(19)30)14-10-13-27(4)5/h7-9,11-12,21,26,29H,6,10,13-14H2,1-5H3/b22-19+InChIKey
WRHQWDPSONYBJE-ZBJSNUHESA-NSynonyms
(E)(1(3(dimethylammonio)propyl)45dioxo2phenylpyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccccc1)CCC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=CC=C3)O)C
ETHYL4((1(3(DIMETHYLAMINO)PROPYL)4HYDROXY5OXO2PHENYL(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((Z)(1(3(DIMETHYLAMINO)PROPYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC25H31N3O5c163325(32)2015(2)18(16(3)2620)22(29)1921(17118791217)28(24(31)23(19)30)14101327(4)5h791112212629H6101314H215H3b2219+
MFCD20755569
ZINC000102928990
ZINC000102928991
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