Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL149600
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)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 C24H25N5O5 MW 463.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N5O5/c1-14-17(15(2)27-19(14)24(33)34-3)21(30)18-20(16-5-7-25-8-6-16)29(23(32)22(18)31)11-4-10-28-12-9-26-13-28/h5-9,12-13,20,27,30H,4,10-11H2,1-3H3/b21-18+InChIKey
HGADICIJARRUMR-DYTRJAOYSA-NSynonyms
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=NC=C4)O)C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccncc1)CCCn1cc(nH+)c1)(O))C
InChI=1SC24H25N5O5c11417(15(2)2719(14)24(33)343)21(30)1820(1657258616)29(23(32)22(18)31)1141028129261328h591213202730H41011H213H3b2118+
METHYL4((4HYDROXY1(3IMIDAZOLYLPROPYL)5OXO2(4PYRIDYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)HYDROXY(1(3IMIDAZOL1YLPROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD20755635
ZINC000102929288
ZINC000102929290
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