Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL038463
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(o1)C)CCCn1cc[nH+]c1)/[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 C24H26N4O6 MW 466.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O6/c1-13-6-7-16(34-13)20-18(21(29)17-14(2)19(24(32)33-4)26-15(17)3)22(30)23(31)28(20)10-5-9-27-11-8-25-12-27/h6-8,11-12,20,26,29H,5,9-10H2,1-4H3/b21-18+InChIKey
OYIOJWBIJBZRPO-DYTRJAOYSA-NSynonyms
848746-05-4(E)(1(3(1Himidazol3ium1yl)propyl)2(5methylfuran2yl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
848746054
CC1=CC=C(O1)C2C(=C(C3=C(NC(=C3C)C(=O)OC)C)O)C(=O)C(=O)N2CCCN4C=CN=C4
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(o1)C)CCCn1cc(nH+)c1)(O))C
InChI=1SC24H26N4O6c1136716(3413)2018(21(29)1714(2)19(24(32)334)2615(17)3)22(30)23(31)28(20)105927118251227h681112202629H5910H214H3b2118+
METHYL4((4HYDROXY1(3(1HIMIDAZOL1YL)PROPYL)2(5METHYL2FURYL)5OXO25DIHYDRO1HPYRROL3YL)CARBONYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((E)HYDROXY(1(3IMIDAZOL1YLPROPYL)2(5METHYLFURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18247629
ZINC000102860705
ZINC000102860708
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